N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide

C23H24N4O — CID 134802336

IUPACN-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C23H24N4O/c28-23(25-21-9-2-1-3-10-21)27-15-13-26(14-16-27)18-20-7-4-5-11-22(20)19-8-6-12-24-17-19/h1-12,17H,13-16,18H2,(H,25,28)
InChIKeyCOVGVWSFJSBCQW-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.10
Rot. Bonds4

About N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide

N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 134802336) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
PubChem CID134802336
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
InChIInChI=1S/C23H24N4O/c28-23(25-21-9-2-1-3-10-21)27-15-13-26(14-16-27)18-20-7-4-5-11-22(20)19-8-6-12-24-17-19/h1-12,17H,13-16,18H2,(H,25,28)
InChIKeyCOVGVWSFJSBCQW-UHFFFAOYSA-N
XLogP4.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-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

piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
(4-phenylpiperidin-1-yl)-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134800699
(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
CID 134799669
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134803038
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-phenyl-4-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 118068179
CID 134799849
CID 134799849
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
N-[(2-fluorophenyl)methyl]-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134802499
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide (CID 134802336) is N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1.
What is the InChIKey of N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is COVGVWSFJSBCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(25-21-9-2-1-3-10-21)27-15-13-26(14-16-27)18-20-7-4-5-11-22(20)19-8-6-12-24-17-19/h1-12,17H,13-16,18H2,(H,25,28).
What are the key properties of N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide?
N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 134802336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).