4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid

C29H37N3O4 — CID 91287242

IUPAC4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CN(C(=O)c1ccc(N2CCN(C(=O)C3CCC(C(=O)O)CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H37N3O4/c1-21(2)20-32(26-6-4-3-5-7-26)28(34)23-12-14-25(15-13-23)30-16-18-31(19-17-30)27(33)22-8-10-24(11-9-22)29(35)36/h3-7,12-15,21-22,24H,8-11,16-20H2,1-2H3,(H,35,36)
InChIKeyWYIJXTHUEUMFTF-UHFFFAOYSA-N
MW491.63 g/mol
LogP4.53
Rot. Bonds7

About 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 91287242) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID91287242
Molecular FormulaC29H37N3O4
Molecular Weight491.63 g/mol
Exact Mass491.28
IUPAC Name4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CN(C(=O)c1ccc(N2CCN(C(=O)C3CCC(C(=O)O)CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H37N3O4/c1-21(2)20-32(26-6-4-3-5-7-26)28(34)23-12-14-25(15-13-23)30-16-18-31(19-17-30)27(33)22-8-10-24(11-9-22)29(35)36/h3-7,12-15,21-22,24H,8-11,16-20H2,1-2H3,(H,35,36)
InChIKeyWYIJXTHUEUMFTF-UHFFFAOYSA-N
XLogP4.53
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid 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-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
CID 110417503
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 110406768
3-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperidin-1-yl]benzoic acid
CID 91016390
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylpropyl)benzamide
CID 110620588
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 91287242) is 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid is CC(C)CN(C(=O)c1ccc(N2CCN(C(=O)C3CCC(C(=O)O)CC3)CC2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is WYIJXTHUEUMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-21(2)20-32(26-6-4-3-5-7-26)28(34)23-12-14-25(15-13-23)30-16-18-31(19-17-30)27(33)22-8-10-24(11-9-22)29(35)36/h3-7,12-15,21-22,24H,8-11,16-20H2,1-2H3,(H,35,36).
What are the key properties of 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 491.63 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-methylpropyl(phenyl)carbamoyl]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).