N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide

C13H24N2O3 — CID 103899879

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H24N2O3/c1-13(2,6-3-7-16)9-15-12(18)10-4-5-11(17)14-8-10/h10,16H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyXTSNCOPFLHSSLZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.43
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide (PubChem CID 103899879) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide
PubChem CID103899879
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H24N2O3/c1-13(2,6-3-7-16)9-15-12(18)10-4-5-11(17)14-8-10/h10,16H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyXTSNCOPFLHSSLZ-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide (CID 103899879) is N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide is CC(C)(CCCO)CNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is XTSNCOPFLHSSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,6-3-7-16)9-15-12(18)10-4-5-11(17)14-8-10/h10,16H,3-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 103899879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).