1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide

C19H32N2O2 — CID 45208381

IUPAC1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H32N2O2/c1-4-20(12-15(2)3)19(23)17-10-11-18(22)21(14-17)13-16-8-6-5-7-9-16/h16-17H,2,4-14H2,1,3H3
InChIKeyZFGGNBZYDLOLIV-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.23
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45208381) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
PubChem CID45208381
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H32N2O2/c1-4-20(12-15(2)3)19(23)17-10-11-18(22)21(14-17)13-16-8-6-5-7-9-16/h16-17H,2,4-14H2,1,3H3
InChIKeyZFGGNBZYDLOLIV-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26315344
N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 45192231
(3R)-N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593721
2-cyclopentyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 86978195
(5R)-1-(cyclohexylmethyl)-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]piperidin-2-one
CID 25447256
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 72860237
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 25454472

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide (CID 45208381) is 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide is C=C(C)CN(CC)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ZFGGNBZYDLOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-20(12-15(2)3)19(23)17-10-11-18(22)21(14-17)13-16-8-6-5-7-9-16/h16-17H,2,4-14H2,1,3H3.
What are the key properties of 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45208381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).