N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide

C19H28N2O3 — CID 111464473

IUPACN-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-3-4-12-20-18(23)16-11-10-14(2)21(13-16)19(24)17(22)15-8-6-5-7-9-15/h5-9,14,16-17,22H,3-4,10-13H2,1-2H3,(H,20,23)
InChIKeyQHPCDEKOBJWTDH-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.26
Rot. Bonds6

About N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide

N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide (PubChem CID 111464473) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
PubChem CID111464473
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-3-4-12-20-18(23)16-11-10-14(2)21(13-16)19(24)17(22)15-8-6-5-7-9-15/h5-9,14,16-17,22H,3-4,10-13H2,1-2H3,(H,20,23)
InChIKeyQHPCDEKOBJWTDH-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-6-methyl-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-3-carboxamide
CID 86935196
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
1-benzhydryl-N-octylpiperidine-3-carboxamide
CID 58022649
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
CID 120561073
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 51093171
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
(3S,6R)-N-butyl-6-methyl-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidine-3-carboxamide
CID 99811792

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide (CID 111464473) is N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(C(=O)C(O)c2ccccc2)C1.
What is the InChIKey of N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is QHPCDEKOBJWTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-4-12-20-18(23)16-11-10-14(2)21(13-16)19(24)17(22)15-8-6-5-7-9-15/h5-9,14,16-17,22H,3-4,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide?
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 111464473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).