4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide

C21H26N4O2 — CID 113106787

IUPAC4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)NCc3ccccc3C)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-16-6-3-4-7-18(16)15-22-21(27)25-12-10-24(11-13-25)20-9-5-8-19(14-20)23-17(2)26/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyBQJZSETUGBEHRN-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.99
Rot. Bonds4

About 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide

4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106787) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106787
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)NCc3ccccc3C)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-16-6-3-4-7-18(16)15-22-21(27)25-12-10-24(11-13-25)20-9-5-8-19(14-20)23-17(2)26/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyBQJZSETUGBEHRN-UHFFFAOYSA-N
XLogP2.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-acetamidophenyl)-N-[(2-methylphenyl)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

4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea
CID 110368197

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106787) is 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is CC(=O)Nc1cccc(N2CCN(C(=O)NCc3ccccc3C)CC2)c1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is BQJZSETUGBEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-6-3-4-7-18(16)15-22-21(27)25-12-10-24(11-13-25)20-9-5-8-19(14-20)23-17(2)26/h3-9,14H,10-13,15H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).