4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide

C18H28N2O — CID 63129508

IUPAC4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCCC(C)c2ccccc2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-3-18(10-13-19-14-11-18)17(21)20-12-9-15(2)16-7-5-4-6-8-16/h4-8,15,19H,3,9-14H2,1-2H3,(H,20,21)
InChIKeySCQNOGYKQWMHPG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds6

About 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide

4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide (PubChem CID 63129508) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide
PubChem CID63129508
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCCC(C)c2ccccc2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-3-18(10-13-19-14-11-18)17(21)20-12-9-15(2)16-7-5-4-6-8-16/h4-8,15,19H,3,9-14H2,1-2H3,(H,20,21)
InChIKeySCQNOGYKQWMHPG-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
1-(3-phenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62987535
1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 62404207
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63129179
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
N-(2-hydroxy-2-phenylethyl)-4-propylpiperidine-4-carboxamide
CID 63127671
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
N-(3-phenylbutyl)benzamide
CID 62403316
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide (CID 63129508) is 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide is CCC1(C(=O)NCCC(C)c2ccccc2)CCNCC1.
What is the InChIKey of 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is SCQNOGYKQWMHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-18(10-13-19-14-11-18)17(21)20-12-9-15(2)16-7-5-4-6-8-16/h4-8,15,19H,3,9-14H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide?
4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 63129508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).