1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide

C20H32N2O — CID 795830

IUPAC1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-4-17-5-7-18(8-6-17)15-22-13-10-19(11-14-22)20(23)21-12-9-16(2)3/h5-8,16,19H,4,9-15H2,1-3H3,(H,21,23)
InChIKeyXDBBTWYRQFDBSE-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.62
Rot. Bonds7

About 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 795830) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID795830
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-4-17-5-7-18(8-6-17)15-22-13-10-19(11-14-22)20(23)21-12-9-16(2)3/h5-8,16,19H,4,9-15H2,1-3H3,(H,21,23)
InChIKeyXDBBTWYRQFDBSE-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-(2-amino-2-oxoethyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16909145
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009397
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
CID 167018688
1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 15987809

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 795830) is 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide is CCc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is XDBBTWYRQFDBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-4-17-5-7-18(8-6-17)15-22-13-10-19(11-14-22)20(23)21-12-9-16(2)3/h5-8,16,19H,4,9-15H2,1-3H3,(H,21,23).
What are the key properties of 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 316.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 795830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).