5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide

C22H29N3O — CID 109180700

IUPAC5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O/c1-2-3-13-23-22(26)21-10-9-20(17-24-21)25-14-11-19(12-15-25)16-18-7-5-4-6-8-18/h4-10,17,19H,2-3,11-16H2,1H3,(H,23,26)
InChIKeyNSGYXCCVWJRTGZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.07
Rot. Bonds7

About 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide

5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide (PubChem CID 109180700) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
PubChem CID109180700
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O/c1-2-3-13-23-22(26)21-10-9-20(17-24-21)25-14-11-19(12-15-25)16-18-7-5-4-6-8-18/h4-10,17,19H,2-3,11-16H2,1H3,(H,23,26)
InChIKeyNSGYXCCVWJRTGZ-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184262
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]pentanamide
CID 113030633
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756
5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194845
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192073
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
CID 113030634

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide (CID 109180700) is 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide is CCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide?
The InChIKey is NSGYXCCVWJRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-3-13-23-22(26)21-10-9-20(17-24-21)25-14-11-19(12-15-25)16-18-7-5-4-6-8-18/h4-10,17,19H,2-3,11-16H2,1H3,(H,23,26).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide is sourced from PubChem (CID 109180700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).