4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide

C22H24N4O — CID 56505268

IUPAC4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(-n4cccc4)c3)CC2)c1
InChIInChI=1S/C22H24N4O/c1-18-6-4-8-20(16-18)25-12-14-26(15-13-25)22(27)23-19-7-5-9-21(17-19)24-10-2-3-11-24/h2-11,16-17H,12-15H2,1H3,(H,23,27)
InChIKeyCCKWLNJHNMUUBV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.14
Rot. Bonds3

About 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide

4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 56505268) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
PubChem CID56505268
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(-n4cccc4)c3)CC2)c1
InChIInChI=1S/C22H24N4O/c1-18-6-4-8-20(16-18)25-12-14-26(15-13-25)22(27)23-19-7-5-9-21(17-19)24-10-2-3-11-24/h2-11,16-17H,12-15H2,1H3,(H,23,27)
InChIKeyCCKWLNJHNMUUBV-UHFFFAOYSA-N
XLogP4.14
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)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-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
CID 56584263
4-(4-nitrophenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583638
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108885668
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide
CID 166180121
4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 118761754

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide (CID 56505268) is 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3cccc(-n4cccc4)c3)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is CCKWLNJHNMUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-18-6-4-8-20(16-18)25-12-14-26(15-13-25)22(27)23-19-7-5-9-21(17-19)24-10-2-3-11-24/h2-11,16-17H,12-15H2,1H3,(H,23,27).
What are the key properties of 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56505268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).