2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide

C23H31N3O — CID 109175499

IUPAC2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-3-4-14-25(2)23(27)21-10-13-24-22(18-21)26-15-11-20(12-16-26)17-19-8-6-5-7-9-19/h5-10,13,18,20H,3-4,11-12,14-17H2,1-2H3
InChIKeyHQWBGMHZIFJBMT-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.41
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide

2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide (PubChem CID 109175499) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
PubChem CID109175499
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-3-4-14-25(2)23(27)21-10-13-24-22(18-21)26-15-11-20(12-16-26)17-19-8-6-5-7-9-19/h5-10,13,18,20H,3-4,11-12,14-17H2,1-2H3
InChIKeyHQWBGMHZIFJBMT-UHFFFAOYSA-N
XLogP4.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
CID 109169122
4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168855
2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171652
N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide (CID 109175499) is 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide?
The InChIKey is HQWBGMHZIFJBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-4-14-25(2)23(27)21-10-13-24-22(18-21)26-15-11-20(12-16-26)17-19-8-6-5-7-9-19/h5-10,13,18,20H,3-4,11-12,14-17H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109175499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).