1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C150H278F6N18O24 — CID 161372954

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(C(C)(C)O)CC1.CC(C)C(=O)N1CCC(C(N)=O)CC1.CC(C)C(=O)N1CCC(CO)CC1.CC(C)C(=O)N1CCC(F)(F)CC1.CC(C)C(=O)N1CCC(F)CC1.CC(C)C(=O)N1CCC(N(C)C)CC1.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCCC(C(F)(F)F)C1.CC(C)C(=O)N1CCCC(CO)C1.CC(C)C(=O)N1CCCC(O)C1.CC(C)C(=O)N1CCCCC1C.CC(C)C(=O)N1CCCCC1CO.CC(C)C(=O)N1CCCOCC1.CC(C)C(=O)N1CCN2CCCC2C1.COCC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H23NO2.C11H20N2O.C11H22N2O.C11H21NO2.C10H16F3NO.C10H18N2O2.3C10H19NO2.C10H19NO.C9H15F2NO.C9H16FNO.3C9H17NO2/c1-9(2)11(14)13-7-5-10(6-8-13)12(3,4)15;1-9(2)11(14)13-7-6-12-5-3-4-10(12)8-13;1-9(2)11(14)13-7-5-10(6-8-13)12(3)4;1-9(2)11(13)12-6-4-10(5-7-12)8-14-3;1-7(2)9(15)14-5-3-4-8(6-14)10(11,12)13;1-7(2)10(14)12-5-3-8(4-6-12)9(11)13;1-8(2)10(13)11-5-3-9(7-12)4-6-11;1-8(2)10(13)11-5-3-4-9(6-11)7-12;1-8(2)10(13)11-6-4-3-5-9(11)7-12;1-8(2)10(12)11-7-5-4-6-9(11)3;1-7(2)8(13)12-5-3-9(10,11)4-6-12;1-7(2)9(12)11-5-3-8(10)4-6-11;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)9(11)10-4-3-6-12-7-5-10;1-7(2)9(12)10-5-3-4-8(11)6-10/h9-10,15H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3,(H2,11,13);3*8-9,12H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8,11H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8,11H,3-6H2,1-2H3
InChIKeyVQRYLKRDIWBPOU-UHFFFAOYSA-N
MW2831.96 g/mol
LogP18.58
Rot. Bonds23

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 161372954) has the molecular formula C150H278F6N18O24 and a molecular weight of 2831.96 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID161372954
Molecular FormulaC150H278F6N18O24
Molecular Weight2831.96 g/mol
Exact Mass2830.10
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(C(C)(C)O)CC1.CC(C)C(=O)N1CCC(C(N)=O)CC1.CC(C)C(=O)N1CCC(CO)CC1.CC(C)C(=O)N1CCC(F)(F)CC1.CC(C)C(=O)N1CCC(F)CC1.CC(C)C(=O)N1CCC(N(C)C)CC1.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCCC(C(F)(F)F)C1.CC(C)C(=O)N1CCCC(CO)C1.CC(C)C(=O)N1CCCC(O)C1.CC(C)C(=O)N1CCCCC1C.CC(C)C(=O)N1CCCCC1CO.CC(C)C(=O)N1CCCOCC1.CC(C)C(=O)N1CCN2CCCC2C1.COCC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H23NO2.C11H20N2O.C11H22N2O.C11H21NO2.C10H16F3NO.C10H18N2O2.3C10H19NO2.C10H19NO.C9H15F2NO.C9H16FNO.3C9H17NO2/c1-9(2)11(14)13-7-5-10(6-8-13)12(3,4)15;1-9(2)11(14)13-7-6-12-5-3-4-10(12)8-13;1-9(2)11(14)13-7-5-10(6-8-13)12(3)4;1-9(2)11(13)12-6-4-10(5-7-12)8-14-3;1-7(2)9(15)14-5-3-4-8(6-14)10(11,12)13;1-7(2)10(14)12-5-3-8(4-6-12)9(11)13;1-8(2)10(13)11-5-3-9(7-12)4-6-11;1-8(2)10(13)11-5-3-4-9(6-11)7-12;1-8(2)10(13)11-6-4-3-5-9(11)7-12;1-8(2)10(12)11-7-5-4-6-9(11)3;1-7(2)8(13)12-5-3-9(10,11)4-6-12;1-7(2)9(12)11-5-3-8(10)4-6-11;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)9(11)10-4-3-6-12-7-5-10;1-7(2)9(12)10-5-3-4-8(11)6-10/h9-10,15H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3,(H2,11,13);3*8-9,12H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8,11H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8,11H,3-6H2,1-2H3
InChIKeyVQRYLKRDIWBPOU-UHFFFAOYSA-N
XLogP18.58
TPSA494.06 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002831.96
LogP ≤ 518.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(azetidin-1-yl)propan-1-one;1-(3,3-difluoroazetidin-1-yl)propan-1-one;1-(3,3-difluoropyrrolidin-1-yl)propan-1-one;1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;1-[(3R)-3-fluoropyrrolidin-1-yl]propan-1-one;1-(3-hydroxyazetidin-1-yl)propan-1-one;1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one;1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one;1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one;1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one;1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one;1-(4-hydroxypiperidin-1-yl)propan-1-one;1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one;1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one;1-(3-methoxyazetidin-1-yl)propan-1-one;1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one;1-pyrrolidin-1-ylpropan-1-one
CID 161409093
1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol
CID 160737708
3-(methoxymethyl)azepane-1-carboxamide
CID 130671584
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxypropan-1-one
CID 115597897
2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 81082796
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163992865
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917
(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;morpholin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 165073464
2-amino-3-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 54936811
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 161372954) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(C(C)(C)O)CC1.CC(C)C(=O)N1CCC(C(N)=O)CC1.CC(C)C(=O)N1CCC(CO)CC1.CC(C)C(=O)N1CCC(F)(F)CC1.CC(C)C(=O)N1CCC(F)CC1.CC(C)C(=O)N1CCC(N(C)C)CC1.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCCC(C(F)(F)F)C1.CC(C)C(=O)N1CCCC(CO)C1.CC(C)C(=O)N1CCCC(O)C1.CC(C)C(=O)N1CCCCC1C.CC(C)C(=O)N1CCCCC1CO.CC(C)C(=O)N1CCCOCC1.CC(C)C(=O)N1CCN2CCCC2C1.COCC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is VQRYLKRDIWBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C11H20N2O.C11H22N2O.C11H21NO2.C10H16F3NO.C10H18N2O2.3C10H19NO2.C10H19NO.C9H15F2NO.C9H16FNO.3C9H17NO2/c1-9(2)11(14)13-7-5-10(6-8-13)12(3,4)15;1-9(2)11(14)13-7-6-12-5-3-4-10(12)8-13;1-9(2)11(14)13-7-5-10(6-8-13)12(3)4;1-9(2)11(13)12-6-4-10(5-7-12)8-14-3;1-7(2)9(15)14-5-3-4-8(6-14)10(11,12)13;1-7(2)10(14)12-5-3-8(4-6-12)9(11)13;1-8(2)10(13)11-5-3-9(7-12)4-6-11;1-8(2)10(13)11-5-3-4-9(6-11)7-12;1-8(2)10(13)11-6-4-3-5-9(11)7-12;1-8(2)10(12)11-7-5-4-6-9(11)3;1-7(2)8(13)12-5-3-9(10,11)4-6-12;1-7(2)9(12)11-5-3-8(10)4-6-11;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)9(11)10-4-3-6-12-7-5-10;1-7(2)9(12)10-5-3-4-8(11)6-10/h9-10,15H,5-8H2,1-4H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3,(H2,11,13);3*8-9,12H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8,11H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 2831.96 g/mol, XLogP of 18.58, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 161372954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).