1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide

C19H28N2O3 — CID 111461020

IUPAC1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-14(2)17(22)11-12-20-18(23)16-10-6-7-13-21(16)19(24)15-8-4-3-5-9-15/h3-5,8-9,14,16-17,22H,6-7,10-13H2,1-2H3,(H,20,23)
InChIKeyPBTXIGXLOUSDSK-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.20
Rot. Bonds6

About 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide

1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide (PubChem CID 111461020) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
PubChem CID111461020
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-14(2)17(22)11-12-20-18(23)16-10-6-7-13-21(16)19(24)15-8-4-3-5-9-15/h3-5,8-9,14,16-17,22H,6-7,10-13H2,1-2H3,(H,20,23)
InChIKeyPBTXIGXLOUSDSK-UHFFFAOYSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
N-(3-hydroxy-4-methylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111461149
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
benzyl (2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CID 150631043
2-methylpropyl 1-benzoylpiperidine-2-carboxylate
CID 100995685
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-hydroxy-4-methylpentyl)piperidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide (CID 111461020) is 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide is CC(C)C(O)CCNC(=O)C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide?
The InChIKey is PBTXIGXLOUSDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)17(22)11-12-20-18(23)16-10-6-7-13-21(16)19(24)15-8-4-3-5-9-15/h3-5,8-9,14,16-17,22H,6-7,10-13H2,1-2H3,(H,20,23).
What are the key properties of 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide?
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide is sourced from PubChem (CID 111461020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).