(3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

C17H30N2O2 — CID 25283827

IUPAC(3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-3-11-18-17(21)15-9-10-16(20)19(13-15)12-14-7-5-4-6-8-14/h14-15H,2-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyGETYAESCLBKKLO-HNNXBMFYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds6

About (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

(3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 25283827) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID25283827
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-3-11-18-17(21)15-9-10-16(20)19(13-15)12-14-7-5-4-6-8-14/h14-15H,2-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyGETYAESCLBKKLO-HNNXBMFYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (CID 25283827) is (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is CCCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is GETYAESCLBKKLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-3-11-18-17(21)15-9-10-16(20)19(13-15)12-14-7-5-4-6-8-14/h14-15H,2-13H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25283827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).