2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide

C19H31N3O3 — CID 166262807

IUPAC2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide
SMILESO=C1CCC(NC(=O)N2CCC2C2CCCCC2)C(C2CCCO2)N1
InChIInChI=1S/C19H31N3O3/c23-17-9-8-14(18(21-17)16-7-4-12-25-16)20-19(24)22-11-10-15(22)13-5-2-1-3-6-13/h13-16,18H,1-12H2,(H,20,24)(H,21,23)
InChIKeyFLYDUGSEILMESR-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.18
Rot. Bonds3

About 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide

2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide (PubChem CID 166262807) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide
PubChem CID166262807
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide
SMILESO=C1CCC(NC(=O)N2CCC2C2CCCCC2)C(C2CCCO2)N1
InChIInChI=1S/C19H31N3O3/c23-17-9-8-14(18(21-17)16-7-4-12-25-16)20-19(24)22-11-10-15(22)13-5-2-1-3-6-13/h13-16,18H,1-12H2,(H,20,24)(H,21,23)
InChIKeyFLYDUGSEILMESR-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]urea
CID 136543336
N-[(2R,3R)-2-cyclopropyl-6-oxopiperidin-3-yl]morpholine-4-carboxamide
CID 129349017
4-[[[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 122014707
5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide
CID 129345384
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 64815380
(5R)-5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyrrolidin-2-one
CID 126800408
(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124857687
N-(2,4-dimethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 102557118
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 92571774
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide (CID 166262807) is 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide is O=C1CCC(NC(=O)N2CCC2C2CCCCC2)C(C2CCCO2)N1.
What is the InChIKey of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
The InChIKey is FLYDUGSEILMESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-17-9-8-14(18(21-17)16-7-4-12-25-16)20-19(24)22-11-10-15(22)13-5-2-1-3-6-13/h13-16,18H,1-12H2,(H,20,24)(H,21,23).
What are the key properties of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 166262807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).