1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide

C13H24N2O3 — CID 61059999

IUPAC1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H24N2O3/c1-2-4-12(17)15-8-5-11(6-9-15)13(18)14-7-3-10-16/h11,16H,2-10H2,1H3,(H,14,18)
InChIKeyRCPONFRVKUANIV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds6

About 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 61059999) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID61059999
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H24N2O3/c1-2-4-12(17)15-8-5-11(6-9-15)13(18)14-7-3-10-16/h11,16H,2-10H2,1H3,(H,14,18)
InChIKeyRCPONFRVKUANIV-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
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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Related Compounds

N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
1-[3-(ethylamino)propanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62835714
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980497
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62668727

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 61059999) is 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is RCPONFRVKUANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-4-12(17)15-8-5-11(6-9-15)13(18)14-7-3-10-16/h11,16H,2-10H2,1H3,(H,14,18).
What are the key properties of 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 61059999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).