1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane

C221H375N15O18 — CID 161173292

IUPAC1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(C2CCCCC2)N1C(C)(C)C.CC(C)(C)C(=O)C1CCC(c2ccccc2)N1C(C)(C)C.CC1CCC(C(=O)C(C)(C)C)N1C(C)(C)C.CC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.CCC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.Cc1ccc(OC2CC(C(=O)C(C)(C)C)N(C(C)(C)C)C2)nc1
InChIInChI=1S/C23H34N2O3.2C23H31NO2.C21H29N3O2.C19H30N2O2.C19H29NO2.C19H35NO.C19H29NO.C16H31NO.C15H29NO.C14H27NO.10CH4/c1-22(2,3)20(26)19-13-18(15-25(19)23(4,5)6)28-21(27)24-12-11-16-9-7-8-10-17(16)14-24;1-22(2,3)21(25)19-14-17(15-24(19)23(4,5)6)26-20-13-9-11-16-10-7-8-12-18(16)20;1-22(2,3)21(25)20-14-19(15-24(20)23(4,5)6)26-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)18(25)17-11-14(12-24(17)21(4,5)6)26-19-15-9-7-8-10-16(15)22-13-23-19;1-13-8-9-16(20-11-13)23-14-10-15(17(22)18(2,3)4)21(12-14)19(5,6)7;1-18(2,3)17(21)16-12-15(13-20(16)19(4,5)6)22-14-10-8-7-9-11-14;2*1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-9-12-10-17(16(6,7)8)13(11(12)2)14(18)15(3,4)5;1-10-9-16(15(6,7)8)12(11(10)2)13(17)14(3,4)5;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7;;;;;;;;;;/h7-10,18-19H,11-15H2,1-6H3;7-13,17,19H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;8-9,11,14-15H,10,12H2,1-7H3;7-11,15-16H,12-13H2,1-6H3;14-16H,7-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;11-13H,9-10H2,1-8H3;10-12H,9H2,1-8H3;10-11H,8-9H2,1-7H3;10*1H4
InChIKeyURLYTYRHKAOIGZ-UHFFFAOYSA-N
MW3530.52 g/mol
LogP51.74
Rot. Bonds25

About 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane

1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane (PubChem CID 161173292) has the molecular formula C221H375N15O18 and a molecular weight of 3530.52 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane.

Molecular Properties

Compound Name1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
PubChem CID161173292
Molecular FormulaC221H375N15O18
Molecular Weight3530.52 g/mol
Exact Mass3527.89
IUPAC Name1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(C2CCCCC2)N1C(C)(C)C.CC(C)(C)C(=O)C1CCC(c2ccccc2)N1C(C)(C)C.CC1CCC(C(=O)C(C)(C)C)N1C(C)(C)C.CC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.CCC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.Cc1ccc(OC2CC(C(=O)C(C)(C)C)N(C(C)(C)C)C2)nc1
InChIInChI=1S/C23H34N2O3.2C23H31NO2.C21H29N3O2.C19H30N2O2.C19H29NO2.C19H35NO.C19H29NO.C16H31NO.C15H29NO.C14H27NO.10CH4/c1-22(2,3)20(26)19-13-18(15-25(19)23(4,5)6)28-21(27)24-12-11-16-9-7-8-10-17(16)14-24;1-22(2,3)21(25)19-14-17(15-24(19)23(4,5)6)26-20-13-9-11-16-10-7-8-12-18(16)20;1-22(2,3)21(25)20-14-19(15-24(20)23(4,5)6)26-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)18(25)17-11-14(12-24(17)21(4,5)6)26-19-15-9-7-8-10-16(15)22-13-23-19;1-13-8-9-16(20-11-13)23-14-10-15(17(22)18(2,3)4)21(12-14)19(5,6)7;1-18(2,3)17(21)16-12-15(13-20(16)19(4,5)6)22-14-10-8-7-9-11-14;2*1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-9-12-10-17(16(6,7)8)13(11(12)2)14(18)15(3,4)5;1-10-9-16(15(6,7)8)12(11(10)2)13(17)14(3,4)5;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7;;;;;;;;;;/h7-10,18-19H,11-15H2,1-6H3;7-13,17,19H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;8-9,11,14-15H,10,12H2,1-7H3;7-11,15-16H,12-13H2,1-6H3;14-16H,7-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;11-13H,9-10H2,1-8H3;10-12H,9H2,1-8H3;10-11H,8-9H2,1-7H3;10*1H4
InChIKeyURLYTYRHKAOIGZ-UHFFFAOYSA-N
XLogP51.74
TPSA337.77 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003530.52
LogP ≤ 551.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane with MolForge

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Related Compounds

tert-butyl (3S)-3-cyclohexyl-4-[(2S,4R)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-4-oxobutanoate;tert-butyl (3S)-3-cyclopentyl-4-[(2S,4R)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-4-oxobutanoate;tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-[2-[(4-fluorophenyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;propan-2-yl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
CID 157796119
tert-butyl (3S)-3-cyclohexyl-4-[(2S)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-4-oxobutanoate;cyclopentyl (3S)-3-[(2S,4R)-4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]oxy-2-[2-[(1R,2S)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]pyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(2-phenylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
CID 158380685
1-[1-Tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 158604428
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline
CID 158620510
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 158813004
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-[4-(5,8-dihydroquinazolin-4-yloxy)-1-methylpyrrolidin-2-yl]ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 158828907
1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 158979996
tert-butyl (3S)-3-cyclohexyl-4-[(2S,4R)-2-[2-[(1R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-4-oxobutanoate;tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxynaphthalen-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;tert-butyl (3S)-3-[(2S,4R)-2-[2-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]acetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate;cyclopentyl (3S)-3-[(2S,4R)-2-[2-[(1R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]acetyl]-4-(2-phenylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
CID 159025299
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 159149673
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 159818045
[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] naphthalene-2-carboxylate;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 160029905
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 160159573

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
The IUPAC name of 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane (CID 161173292) is 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane.
What is the SMILES notation for 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
The canonical SMILES for 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane is C.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C(=O)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.CC(C)(C)C(=O)C1CCC(C2CCCCC2)N1C(C)(C)C.CC(C)(C)C(=O)C1CCC(c2ccccc2)N1C(C)(C)C.CC1CCC(C(=O)C(C)(C)C)N1C(C)(C)C.CC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.CCC1CN(C(C)(C)C)C(C(=O)C(C)(C)C)C1C.Cc1ccc(OC2CC(C(=O)C(C)(C)C)N(C(C)(C)C)C2)nc1.
What is the InChIKey of 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
The InChIKey is URLYTYRHKAOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3.2C23H31NO2.C21H29N3O2.C19H30N2O2.C19H29NO2.C19H35NO.C19H29NO.C16H31NO.C15H29NO.C14H27NO.10CH4/c1-22(2,3)20(26)19-13-18(15-25(19)23(4,5)6)28-21(27)24-12-11-16-9-7-8-10-17(16)14-24;1-22(2,3)21(25)19-14-17(15-24(19)23(4,5)6)26-20-13-9-11-16-10-7-8-12-18(16)20;1-22(2,3)21(25)20-14-19(15-24(20)23(4,5)6)26-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)18(25)17-11-14(12-24(17)21(4,5)6)26-19-15-9-7-8-10-16(15)22-13-23-19;1-13-8-9-16(20-11-13)23-14-10-15(17(22)18(2,3)4)21(12-14)19(5,6)7;1-18(2,3)17(21)16-12-15(13-20(16)19(4,5)6)22-14-10-8-7-9-11-14;2*1-18(2,3)17(21)16-13-12-15(20(16)19(4,5)6)14-10-8-7-9-11-14;1-9-12-10-17(16(6,7)8)13(11(12)2)14(18)15(3,4)5;1-10-9-16(15(6,7)8)12(11(10)2)13(17)14(3,4)5;1-10-8-9-11(12(16)13(2,3)4)15(10)14(5,6)7;;;;;;;;;;/h7-10,18-19H,11-15H2,1-6H3;7-13,17,19H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;8-9,11,14-15H,10,12H2,1-7H3;7-11,15-16H,12-13H2,1-6H3;14-16H,7-13H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;11-13H,9-10H2,1-8H3;10-12H,9H2,1-8H3;10-11H,8-9H2,1-7H3;10*1H4.
What are the key properties of 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane has a molecular weight of 3530.52 g/mol, XLogP of 51.74, 25 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-cyclohexylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-(1-tert-butyl-3,4-dimethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-ethyl-3-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-[1-tert-butyl-4-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane is sourced from PubChem (CID 161173292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).