N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C13H24N2O3 — CID 43417584

IUPACN-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)13(18)15-7-4-11(5-8-15)12(17)14-6-3-9-16/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGWRYZJBRTAOACY-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.38
Rot. Bonds5

About N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 43417584) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID43417584
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)13(18)15-7-4-11(5-8-15)12(17)14-6-3-9-16/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGWRYZJBRTAOACY-UHFFFAOYSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 43417584) is N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is GWRYZJBRTAOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)13(18)15-7-4-11(5-8-15)12(17)14-6-3-9-16/h10-11,16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 43417584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).