5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide

C23H31N3O — CID 109240243

IUPAC5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-3-4-12-25(2)23(27)21-16-22(18-24-17-21)26-13-10-20(11-14-26)15-19-8-6-5-7-9-19/h5-9,16-18,20H,3-4,10-15H2,1-2H3
InChIKeyGENGHZUJOGLRMW-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.41
Rot. Bonds7

About 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide

5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide (PubChem CID 109240243) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
PubChem CID109240243
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-3-4-12-25(2)23(27)21-16-22(18-24-17-21)26-13-10-20(11-14-26)15-19-8-6-5-7-9-19/h5-9,16-18,20H,3-4,10-15H2,1-2H3
InChIKeyGENGHZUJOGLRMW-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

Analyze 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
CID 109175499
5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231990
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109227244

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide (CID 109240243) is 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide?
The InChIKey is GENGHZUJOGLRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-4-12-25(2)23(27)21-16-22(18-24-17-21)26-13-10-20(11-14-26)15-19-8-6-5-7-9-19/h5-9,16-18,20H,3-4,10-15H2,1-2H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-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 5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).