4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C18H22N4O — CID 113108394

IUPAC4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-15-5-7-17(8-6-15)21-10-12-22(13-11-21)18(23)20-14-16-4-2-3-9-19-16/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyWIMPTWUJTNXQOW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.42
Rot. Bonds3

About 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108394) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113108394
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O/c1-15-5-7-17(8-6-15)21-10-12-22(13-11-21)18(23)20-14-16-4-2-3-9-19-16/h2-9H,10-14H2,1H3,(H,20,23)
InChIKeyWIMPTWUJTNXQOW-UHFFFAOYSA-N
XLogP2.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)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

4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52897953
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 95395325
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518394
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 113108394) is 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NCc3ccccn3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is WIMPTWUJTNXQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15-5-7-17(8-6-15)21-10-12-22(13-11-21)18(23)20-14-16-4-2-3-9-19-16/h2-9H,10-14H2,1H3,(H,20,23).
What are the key properties of 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).