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

C135H247F6N19O29 — CID 161409093

IUPAC1-(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
SMILESCCC(=O)N1CC(F)(F)C1.CCC(=O)N1CC(O)C1.CCC(=O)N1CC(OC)C1.CCC(=O)N1CCC(CO)C1.CCC(=O)N1CCC(F)(F)C1.CCC(=O)N1CCC(O)CC1.CCC(=O)N1CCC1.CCC(=O)N1CCCC(COC)C1.CCC(=O)N1CCCC(N(C)C)C1.CCC(=O)N1CCCC1.CCC(=O)N1CCC[C@@H](O)C1.CCC(=O)N1CCC[C@@H]1CO.CCC(=O)N1CCC[C@H](O)C1.CCC(=O)N1CCC[C@H]1CO.CCC(=O)N1CC[C@@H](F)C1.CCC(=O)N1CC[C@@H](O)C1.CCC(=O)N1CC[C@H](F)C1.CCC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H20N2O.C10H19NO2.6C8H15NO2.C7H11F2NO.2C7H12FNO.3C7H13NO2.C7H13NO.C6H9F2NO.C6H11NO2.C6H11NO/c1-4-10(13)12-7-5-6-9(8-12)11(2)3;1-3-10(12)11-6-4-5-9(7-11)8-13-2;1-2-8(11)9-5-3-7(10)4-6-9;1-2-8(11)9-4-3-7(5-9)6-10;2*1-2-8(11)9-5-3-4-7(9)6-10;2*1-2-8(11)9-5-3-4-7(10)6-9;1-2-6(11)10-4-3-7(8,9)5-10;2*1-2-7(10)9-4-3-6(8)5-9;1-3-7(9)8-4-6(5-8)10-2;2*1-2-7(10)8-4-3-6(9)5-8;1-2-7(9)8-5-3-4-6-8;1-2-5(10)9-3-6(7,8)4-9;1-2-6(9)7-3-5(8)4-7;1-2-6(8)7-4-3-5-7/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;6*7,10H,2-6H2,1H3;2-5H2,1H3;2*6H,2-5H2,1H3;6H,3-5H2,1-2H3;2*6,9H,2-5H2,1H3;2-6H2,1H3;2-4H2,1H3;5,8H,2-4H2,1H3;2-5H2,1H3/t;;;;4*7-;;2*6-;;2*6-;;;;/m....1010.10.10..../s1
InChIKeyVVFSBMADCKLEIP-VEXXXHGKSA-N
MW2714.55 g/mol
LogP9.92
Rot. Bonds25

About 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

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 (PubChem CID 161409093) has the molecular formula C135H247F6N19O29 and a molecular weight of 2714.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID161409093
Molecular FormulaC135H247F6N19O29
Molecular Weight2714.55 g/mol
Exact Mass2712.83
IUPAC Name1-(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
SMILESCCC(=O)N1CC(F)(F)C1.CCC(=O)N1CC(O)C1.CCC(=O)N1CC(OC)C1.CCC(=O)N1CCC(CO)C1.CCC(=O)N1CCC(F)(F)C1.CCC(=O)N1CCC(O)CC1.CCC(=O)N1CCC1.CCC(=O)N1CCCC(COC)C1.CCC(=O)N1CCCC(N(C)C)C1.CCC(=O)N1CCCC1.CCC(=O)N1CCC[C@@H](O)C1.CCC(=O)N1CCC[C@@H]1CO.CCC(=O)N1CCC[C@H](O)C1.CCC(=O)N1CCC[C@H]1CO.CCC(=O)N1CC[C@@H](F)C1.CCC(=O)N1CC[C@@H](O)C1.CCC(=O)N1CC[C@H](F)C1.CCC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H20N2O.C10H19NO2.6C8H15NO2.C7H11F2NO.2C7H12FNO.3C7H13NO2.C7H13NO.C6H9F2NO.C6H11NO2.C6H11NO/c1-4-10(13)12-7-5-6-9(8-12)11(2)3;1-3-10(12)11-6-4-5-9(7-11)8-13-2;1-2-8(11)9-5-3-7(10)4-6-9;1-2-8(11)9-4-3-7(5-9)6-10;2*1-2-8(11)9-5-3-4-7(9)6-10;2*1-2-8(11)9-5-3-4-7(10)6-9;1-2-6(11)10-4-3-7(8,9)5-10;2*1-2-7(10)9-4-3-6(8)5-9;1-3-7(9)8-4-6(5-8)10-2;2*1-2-7(10)8-4-3-6(9)5-8;1-2-7(9)8-5-3-4-6-8;1-2-5(10)9-3-6(7,8)4-9;1-2-6(9)7-3-5(8)4-7;1-2-6(8)7-4-3-5-7/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;6*7,10H,2-6H2,1H3;2-5H2,1H3;2*6H,2-5H2,1H3;6H,3-5H2,1-2H3;2*6,9H,2-5H2,1H3;2-6H2,1H3;2-4H2,1H3;5,8H,2-4H2,1H3;2-5H2,1H3/t;;;;4*7-;;2*6-;;2*6-;;;;/m....1010.10.10..../s1
InChIKeyVVFSBMADCKLEIP-VEXXXHGKSA-N
XLogP9.92
TPSA569.35 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.55
LogP ≤ 59.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

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
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
3-(methoxymethyl)azepane-1-carboxamide
CID 130671584
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=O)N1CC(F)(F)C1.CCC(=O)N1CC(O)C1.CCC(=O)N1CC(OC)C1.CCC(=O)N1CCC(CO)C1.CCC(=O)N1CCC(F)(F)C1.CCC(=O)N1CCC(O)CC1.CCC(=O)N1CCC1.CCC(=O)N1CCCC(COC)C1.CCC(=O)N1CCCC(N(C)C)C1.CCC(=O)N1CCCC1.CCC(=O)N1CCC[C@@H](O)C1.CCC(=O)N1CCC[C@@H]1CO.CCC(=O)N1CCC[C@H](O)C1.CCC(=O)N1CCC[C@H]1CO.CCC(=O)N1CC[C@@H](F)C1.CCC(=O)N1CC[C@@H](O)C1.CCC(=O)N1CC[C@H](F)C1.CCC(=O)N1CC[C@H](O)C1.
What is the InChIKey of 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?
The InChIKey is VVFSBMADCKLEIP-VEXXXHGKSA-N. The full InChI is InChI=1S/C10H20N2O.C10H19NO2.6C8H15NO2.C7H11F2NO.2C7H12FNO.3C7H13NO2.C7H13NO.C6H9F2NO.C6H11NO2.C6H11NO/c1-4-10(13)12-7-5-6-9(8-12)11(2)3;1-3-10(12)11-6-4-5-9(7-11)8-13-2;1-2-8(11)9-5-3-7(10)4-6-9;1-2-8(11)9-4-3-7(5-9)6-10;2*1-2-8(11)9-5-3-4-7(9)6-10;2*1-2-8(11)9-5-3-4-7(10)6-9;1-2-6(11)10-4-3-7(8,9)5-10;2*1-2-7(10)9-4-3-6(8)5-9;1-3-7(9)8-4-6(5-8)10-2;2*1-2-7(10)8-4-3-6(9)5-8;1-2-7(9)8-5-3-4-6-8;1-2-5(10)9-3-6(7,8)4-9;1-2-6(9)7-3-5(8)4-7;1-2-6(8)7-4-3-5-7/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;6*7,10H,2-6H2,1H3;2-5H2,1H3;2*6H,2-5H2,1H3;6H,3-5H2,1-2H3;2*6,9H,2-5H2,1H3;2-6H2,1H3;2-4H2,1H3;5,8H,2-4H2,1H3;2-5H2,1H3/t;;;;4*7-;;2*6-;;2*6-;;;;/m....1010.10.10..../s1.
What are the key properties of 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?
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 has a molecular weight of 2714.55 g/mol, XLogP of 9.92, 25 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161409093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).