N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide

C26H29N3O — CID 10069534

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29N3O/c30-26(24-11-16-27-17-12-24)29(25-9-5-2-6-10-25)20-15-22-13-18-28(19-14-22)21-23-7-3-1-4-8-23/h1-12,16-17,22H,13-15,18-21H2
InChIKeyKTJJCDOTNADSQC-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.03
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide (PubChem CID 10069534) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide
PubChem CID10069534
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29N3O/c30-26(24-11-16-27-17-12-24)29(25-9-5-2-6-10-25)20-15-22-13-18-28(19-14-22)21-23-7-3-1-4-8-23/h1-12,16-17,22H,13-15,18-21H2
InChIKeyKTJJCDOTNADSQC-UHFFFAOYSA-N
XLogP5.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide (CID 10069534) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide is O=C(c1ccncc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide?
The InChIKey is KTJJCDOTNADSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-26(24-11-16-27-17-12-24)29(25-9-5-2-6-10-25)20-15-22-13-18-28(19-14-22)21-23-7-3-1-4-8-23/h1-12,16-17,22H,13-15,18-21H2.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 10069534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).