4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one

C60H107F2N12O7- — CID 158504413

IUPAC4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one
SMILESCCC1CC(=O)N1C1CCN(C)CC1.CC[C@H]1CC(=O)N1C1CCNCC1.CN1CCC(N2CC(F)(F)C2)CC1.COC(=O)C1CCN1C1CCN(C)CC1.COC(=O)[C@H]1CCN1C1CCN(C)CC1.O=C1CCN1C1CC[N-]CC1
InChIInChI=1S/2C11H20N2O2.C11H20N2O.C10H18N2O.C9H16F2N2.C8H13N2O/c2*1-12-6-3-9(4-7-12)13-8-5-10(13)11(14)15-2;1-3-9-8-11(14)13(9)10-4-6-12(2)7-5-10;1-2-8-7-10(13)12(8)9-3-5-11-6-4-9;1-12-4-2-8(3-5-12)13-6-9(10,11)7-13;11-8-3-6-10(8)7-1-4-9-5-2-7/h2*9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-9,11H,2-7H2,1H3;8H,2-7H2,1H3;7H,1-6H2/q;;;;;-1/t10-;;;8-;;/m1..0../s1
InChIKeyHKHINGLEWHYJFQ-NOFUKWMUSA-N
MW1146.59 g/mol
LogP4.28
Rot. Bonds10

About 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one

4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one (PubChem CID 158504413) has the molecular formula C60H107F2N12O7- and a molecular weight of 1146.59 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one
PubChem CID158504413
Molecular FormulaC60H107F2N12O7-
Molecular Weight1146.59 g/mol
Exact Mass1145.84
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one
SMILESCCC1CC(=O)N1C1CCN(C)CC1.CC[C@H]1CC(=O)N1C1CCNCC1.CN1CCC(N2CC(F)(F)C2)CC1.COC(=O)C1CCN1C1CCN(C)CC1.COC(=O)[C@H]1CCN1C1CCN(C)CC1.O=C1CCN1C1CC[N-]CC1
InChIInChI=1S/2C11H20N2O2.C11H20N2O.C10H18N2O.C9H16F2N2.C8H13N2O/c2*1-12-6-3-9(4-7-12)13-8-5-10(13)11(14)15-2;1-3-9-8-11(14)13(9)10-4-6-12(2)7-5-10;1-2-8-7-10(13)12(8)9-3-5-11-6-4-9;1-12-4-2-8(3-5-12)13-6-9(10,11)7-13;11-8-3-6-10(8)7-1-4-9-5-2-7/h2*9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-9,11H,2-7H2,1H3;8H,2-7H2,1H3;7H,1-6H2/q;;;;;-1/t10-;;;8-;;/m1..0../s1
InChIKeyHKHINGLEWHYJFQ-NOFUKWMUSA-N
XLogP4.28
TPSA162.34 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.59
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one with MolForge

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Related Compounds

methyl 6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate
CID 175920656
tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol
CID 159903244
3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine
CID 158347596
(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61285740
3-butan-2-yl-1-(1-methylpiperidin-4-yl)-1,4-diazepane-2,5-dione
CID 64960078
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CID 145006373
methyl (8S)-5-[(Z)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate
CID 155152709
(2S)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;(2R)-4,4-difluoro-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;[(2R,4R)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol;methyl 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate;methyl (2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 158105625
methyl 1-(1,1-dioxothietan-3-yl)azetidine-2-carboxylate
CID 127014959
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 158347597
2-piperidin-4-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862742

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one (CID 158504413) is 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one is CCC1CC(=O)N1C1CCN(C)CC1.CC[C@H]1CC(=O)N1C1CCNCC1.CN1CCC(N2CC(F)(F)C2)CC1.COC(=O)C1CCN1C1CCN(C)CC1.COC(=O)[C@H]1CCN1C1CCN(C)CC1.O=C1CCN1C1CC[N-]CC1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one?
The InChIKey is HKHINGLEWHYJFQ-NOFUKWMUSA-N. The full InChI is InChI=1S/2C11H20N2O2.C11H20N2O.C10H18N2O.C9H16F2N2.C8H13N2O/c2*1-12-6-3-9(4-7-12)13-8-5-10(13)11(14)15-2;1-3-9-8-11(14)13(9)10-4-6-12(2)7-5-10;1-2-8-7-10(13)12(8)9-3-5-11-6-4-9;1-12-4-2-8(3-5-12)13-6-9(10,11)7-13;11-8-3-6-10(8)7-1-4-9-5-2-7/h2*9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-9,11H,2-7H2,1H3;8H,2-7H2,1H3;7H,1-6H2/q;;;;;-1/t10-;;;8-;;/m1..0../s1.
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one?
4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one has a molecular weight of 1146.59 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-1-methylpiperidine;4-ethyl-1-(1-methylpiperidin-4-yl)azetidin-2-one;(4S)-4-ethyl-1-piperidin-4-ylazetidin-2-one;methyl 1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;methyl (2R)-1-(1-methylpiperidin-4-yl)azetidine-2-carboxylate;1-piperidin-1-id-4-ylazetidin-2-one is sourced from PubChem (CID 158504413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).