N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one

C119H223F9N12O9 — CID 158946712

IUPACN,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
SMILESCC(C)C(C)N(C)C(=O)C1CCN(C(C)C)CC1.CC(C)CC(=O)C1(C)CCN(C(C)C)CC1.CC(C)CC(=O)C1CCN(C(C)C)CC1.CC(C)N1CCC(C(=O)CC(C)C(F)(F)F)CC1.CC(C)N1CCC(C(=O)CCC(F)(F)F)CC1.CC(C)N1CCC(C(=O)CCCC(F)(F)F)CC1.CC(C)N1CCC(C(=O)N(C)C(C)C)CC1.CC(C)NC(=O)C1CCN(C(C)C)C1.CCC1(C(=O)CC(C)C)CCN(C(C)C)CC1
InChIInChI=1S/C15H30N2O.C15H29NO.C14H27NO.2C13H22F3NO.C13H26N2O.C13H25NO.C12H20F3NO.C11H22N2O/c1-11(2)13(5)16(6)15(18)14-7-9-17(10-8-14)12(3)4;1-6-15(14(17)11-12(2)3)7-9-16(10-8-15)13(4)5;1-11(2)10-13(16)14(5)6-8-15(9-7-14)12(3)4;1-9(2)17-6-4-11(5-7-17)12(18)8-10(3)13(14,15)16;1-10(2)17-8-5-11(6-9-17)12(18)4-3-7-13(14,15)16;1-10(2)14(5)13(16)12-6-8-15(9-7-12)11(3)4;1-10(2)9-13(15)12-5-7-14(8-6-12)11(3)4;1-9(2)16-7-4-10(5-8-16)11(17)3-6-12(13,14)15;1-8(2)12-11(14)10-5-6-13(7-10)9(3)4/h11-14H,7-10H2,1-6H3;12-13H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;9-11H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;10-12H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyJKXJUKBMWVFLJW-UHFFFAOYSA-N
MW2137.15 g/mol
LogP24.85
Rot. Bonds36

About N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one

N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one (PubChem CID 158946712) has the molecular formula C119H223F9N12O9 and a molecular weight of 2137.15 g/mol. Its IUPAC name is N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one.

Molecular Properties

Compound NameN,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
PubChem CID158946712
Molecular FormulaC119H223F9N12O9
Molecular Weight2137.15 g/mol
Exact Mass2135.72
IUPAC NameN,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
SMILESCC(C)C(C)N(C)C(=O)C1CCN(C(C)C)CC1.CC(C)CC(=O)C1(C)CCN(C(C)C)CC1.CC(C)CC(=O)C1CCN(C(C)C)CC1.CC(C)N1CCC(C(=O)CC(C)C(F)(F)F)CC1.CC(C)N1CCC(C(=O)CCC(F)(F)F)CC1.CC(C)N1CCC(C(=O)CCCC(F)(F)F)CC1.CC(C)N1CCC(C(=O)N(C)C(C)C)CC1.CC(C)NC(=O)C1CCN(C(C)C)C1.CCC1(C(=O)CC(C)C)CCN(C(C)C)CC1
InChIInChI=1S/C15H30N2O.C15H29NO.C14H27NO.2C13H22F3NO.C13H26N2O.C13H25NO.C12H20F3NO.C11H22N2O/c1-11(2)13(5)16(6)15(18)14-7-9-17(10-8-14)12(3)4;1-6-15(14(17)11-12(2)3)7-9-16(10-8-15)13(4)5;1-11(2)10-13(16)14(5)6-8-15(9-7-14)12(3)4;1-9(2)17-6-4-11(5-7-17)12(18)8-10(3)13(14,15)16;1-10(2)17-8-5-11(6-9-17)12(18)4-3-7-13(14,15)16;1-10(2)14(5)13(16)12-6-8-15(9-7-12)11(3)4;1-10(2)9-13(15)12-5-7-14(8-6-12)11(3)4;1-9(2)16-7-4-10(5-8-16)11(17)3-6-12(13,14)15;1-8(2)12-11(14)10-5-6-13(7-10)9(3)4/h11-14H,7-10H2,1-6H3;12-13H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;9-11H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;10-12H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyJKXJUKBMWVFLJW-UHFFFAOYSA-N
XLogP24.85
TPSA201.30 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002137.15
LogP ≤ 524.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one with MolForge

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Related Compounds

N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;N-methyl-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
CID 157257703
1-[3-(3,3-dimethylbutan-2-yl)azetidin-1-yl]propan-1-one;3,3-dimethylbutan-2-ylcyclobutane;1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one;bis(1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one);(2R)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-2,3-dimethylbutan-1-one;1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propane-1,2-dione;1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]propan-1-one;[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
CID 157784524
N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;N-methyl-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
CID 158176355
N,N-diethyl-4-propan-2-ylpiperazine-1-carboxamide;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one
CID 158711491
N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
CID 161828208
3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one
CID 165046249
N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;N-methyl-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
CID 165091271
bis(1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one);1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;1-[3-fluoro-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one
CID 167679984
N-cyclohexyl-2,2-dimethylpropanamide;1-cyclohexyl-2,2-dimethylpropan-1-one;bis(2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide);bis(2,2-dimethyl-1-(1-methylpiperidin-4-yl)propan-1-one);2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-propan-2-ylpropanamide
CID 157747692

Frequently Asked Questions

What is the IUPAC name of N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The IUPAC name of N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one (CID 158946712) is N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one.
What is the SMILES notation for N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The canonical SMILES for N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one is CC(C)C(C)N(C)C(=O)C1CCN(C(C)C)CC1.CC(C)CC(=O)C1(C)CCN(C(C)C)CC1.CC(C)CC(=O)C1CCN(C(C)C)CC1.CC(C)N1CCC(C(=O)CC(C)C(F)(F)F)CC1.CC(C)N1CCC(C(=O)CCC(F)(F)F)CC1.CC(C)N1CCC(C(=O)CCCC(F)(F)F)CC1.CC(C)N1CCC(C(=O)N(C)C(C)C)CC1.CC(C)NC(=O)C1CCN(C(C)C)C1.CCC1(C(=O)CC(C)C)CCN(C(C)C)CC1.
What is the InChIKey of N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The InChIKey is JKXJUKBMWVFLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.C15H29NO.C14H27NO.2C13H22F3NO.C13H26N2O.C13H25NO.C12H20F3NO.C11H22N2O/c1-11(2)13(5)16(6)15(18)14-7-9-17(10-8-14)12(3)4;1-6-15(14(17)11-12(2)3)7-9-16(10-8-15)13(4)5;1-11(2)10-13(16)14(5)6-8-15(9-7-14)12(3)4;1-9(2)17-6-4-11(5-7-17)12(18)8-10(3)13(14,15)16;1-10(2)17-8-5-11(6-9-17)12(18)4-3-7-13(14,15)16;1-10(2)14(5)13(16)12-6-8-15(9-7-12)11(3)4;1-10(2)9-13(15)12-5-7-14(8-6-12)11(3)4;1-9(2)16-7-4-10(5-8-16)11(17)3-6-12(13,14)15;1-8(2)12-11(14)10-5-6-13(7-10)9(3)4/h11-14H,7-10H2,1-6H3;12-13H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;9-11H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;10-12H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one has a molecular weight of 2137.15 g/mol, XLogP of 24.85, 36 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)pyrrolidine-3-carboxamide;1-(4-ethyl-1-propan-2-ylpiperidin-4-yl)-3-methylbutan-1-one;N-methyl-N,1-di(propan-2-yl)piperidine-4-carboxamide;N-methyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide;3-methyl-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-1-one;3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;4,4,4-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)butan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one is sourced from PubChem (CID 158946712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).