4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C26H24N4O3 — CID 166316432

IUPAC4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc(-c4ccccc4C#N)cc3)CC2)cc1
InChIInChI=1S/C26H24N4O3/c1-33-23-12-10-22(11-13-23)28-26(32)30-16-14-29(15-17-30)25(31)20-8-6-19(7-9-20)24-5-3-2-4-21(24)18-27/h2-13H,14-17H2,1H3,(H,28,32)
InChIKeyJUICOUBUQBCZMK-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.22
Rot. Bonds4

About 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 166316432) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID166316432
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc(-c4ccccc4C#N)cc3)CC2)cc1
InChIInChI=1S/C26H24N4O3/c1-33-23-12-10-22(11-13-23)28-26(32)30-16-14-29(15-17-30)25(31)20-8-6-19(7-9-20)24-5-3-2-4-21(24)18-27/h2-13H,14-17H2,1H3,(H,28,32)
InChIKeyJUICOUBUQBCZMK-UHFFFAOYSA-N
XLogP4.22
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)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-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
4-benzoyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 2460838
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 72900546
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 110349977
4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 127044821
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126453381
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 166316432) is 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(-c4ccccc4C#N)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is JUICOUBUQBCZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-33-23-12-10-22(11-13-23)28-26(32)30-16-14-29(15-17-30)25(31)20-8-6-19(7-9-20)24-5-3-2-4-21(24)18-27/h2-13H,14-17H2,1H3,(H,28,32).
What are the key properties of 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 166316432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).