N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

C13H22N2O3 — CID 142439298

IUPACN-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NCC1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-10-6-7-14-12(17)11(10)13(18)15-8-9-4-2-1-3-5-9/h9-11,16H,1-8H2,(H,14,17)(H,15,18)
InChIKeyJWVSPGWGYWVWLA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.18
Rot. Bonds3

About N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 142439298) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID142439298
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC(O)C1C(=O)NCC1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-10-6-7-14-12(17)11(10)13(18)15-8-9-4-2-1-3-5-9/h9-11,16H,1-8H2,(H,14,17)(H,15,18)
InChIKeyJWVSPGWGYWVWLA-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (CID 142439298) is N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is O=C1NCCC(O)C1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is JWVSPGWGYWVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-10-6-7-14-12(17)11(10)13(18)15-8-9-4-2-1-3-5-9/h9-11,16H,1-8H2,(H,14,17)(H,15,18).
What are the key properties of N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).