N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide

C25H32ClN5O2 — CID 91221530

IUPACN-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H32ClN5O2/c1-18-6-5-9-22(26)23(18)29-25(33)31-16-14-30(15-17-31)21-12-10-20(11-13-21)28-24(32)27-19-7-3-2-4-8-19/h5-6,9-13,19H,2-4,7-8,14-17H2,1H3,(H,29,33)(H2,27,28,32)
InChIKeyGOTYZKHKQXUZCL-UHFFFAOYSA-N
MW470.02 g/mol
LogP5.46
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide

N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide (PubChem CID 91221530) has the molecular formula C25H32ClN5O2 and a molecular weight of 470.02 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide
PubChem CID91221530
Molecular FormulaC25H32ClN5O2
Molecular Weight470.02 g/mol
Exact Mass469.22
IUPAC NameN-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H32ClN5O2/c1-18-6-5-9-22(26)23(18)29-25(33)31-16-14-30(15-17-31)21-12-10-20(11-13-21)28-24(32)27-19-7-3-2-4-8-19/h5-6,9-13,19H,2-4,7-8,14-17H2,1H3,(H,29,33)(H2,27,28,32)
InChIKeyGOTYZKHKQXUZCL-UHFFFAOYSA-N
XLogP5.46
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.02
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]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-[[2-(cyclohexylamino)acetyl]amino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 58258690
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 86795696
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
N-(2-chloro-6-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97268968
ethyl 3-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]anilino]-3-oxopropanoate
CID 58258592
1-(3-chlorophenyl)-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
CID 1056361

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide (CID 91221530) is N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide is Cc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is GOTYZKHKQXUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O2/c1-18-6-5-9-22(26)23(18)29-25(33)31-16-14-30(15-17-31)21-12-10-20(11-13-21)28-24(32)27-19-7-3-2-4-8-19/h5-6,9-13,19H,2-4,7-8,14-17H2,1H3,(H,29,33)(H2,27,28,32).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide?
N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 470.02 g/mol, XLogP of 5.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 91221530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).