1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide

C16H22N2O3 — CID 110887535

IUPAC1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
SMILESO=C(NCCCO)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-12-6-10-17-15(20)14-9-4-5-11-18(14)16(21)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2,(H,17,20)
InChIKeyUNQYXAZAWYIBPO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.18
Rot. Bonds5

About 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide

1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide (PubChem CID 110887535) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
PubChem CID110887535
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
SMILESO=C(NCCCO)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-12-6-10-17-15(20)14-9-4-5-11-18(14)16(21)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2,(H,17,20)
InChIKeyUNQYXAZAWYIBPO-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.18
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

1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
4-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119170941
(2R)-1-(4-bromobenzoyl)-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-2-carboxamide
CID 52831006
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide (CID 110887535) is 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide is O=C(NCCCO)C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide?
The InChIKey is UNQYXAZAWYIBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-12-6-10-17-15(20)14-9-4-5-11-18(14)16(21)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2,(H,17,20).
What are the key properties of 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide?
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide is sourced from PubChem (CID 110887535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).