4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 17184547

IUPAC4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-4-3-5-18(14-16)21-20(24)23-12-10-22(11-13-23)15-17-6-8-19(25-2)9-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyKCTLWBZKTJZLHT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.35
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide

4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 17184547) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID17184547
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-4-3-5-18(14-16)21-20(24)23-12-10-22(11-13-23)15-17-6-8-19(25-2)9-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyKCTLWBZKTJZLHT-UHFFFAOYSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)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-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
4-[(4-tert-butylphenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23818837
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
4-[(4-methoxyphenyl)methyl]-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56568081
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(2,3-dichlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184568
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
methyl 3-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107903
4-[(4-methoxyphenyl)methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113108147
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 17184547) is 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is KCTLWBZKTJZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-4-3-5-18(14-16)21-20(24)23-12-10-22(11-13-23)15-17-6-8-19(25-2)9-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17184547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).