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

C21H26N4O2 — CID 113106879

IUPACN-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(Cc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-16-5-3-6-18(13-16)15-24-9-11-25(12-10-24)21(27)23-20-8-4-7-19(14-20)22-17(2)26/h3-8,13-14H,9-12,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyDMJHPENMQFBIBU-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.30
Rot. Bonds4

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

N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106879) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106879
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(Cc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-16-5-3-6-18(13-16)15-24-9-11-25(12-10-24)21(27)23-20-8-4-7-19(14-20)22-17(2)26/h3-8,13-14H,9-12,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyDMJHPENMQFBIBU-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
4-[(4-tert-butylphenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23818837
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 84927779
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide
CID 42916797
N-(3-chlorophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide
CID 19289602

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106879) is N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCN(Cc3cccc(C)c3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DMJHPENMQFBIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-5-3-6-18(13-16)15-24-9-11-25(12-10-24)21(27)23-20-8-4-7-19(14-20)22-17(2)26/h3-8,13-14H,9-12,15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).