N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

C26H31Cl2N3O2 — CID 72705599

IUPACN-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H31Cl2N3O2/c27-23-10-9-20(16-24(23)28)26(33)30-22-8-4-5-18(15-22)17-31-13-11-19(12-14-31)25(32)29-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,29,32)(H,30,33)
InChIKeyDQYMDPWFUFHYSX-UHFFFAOYSA-N
MW488.46 g/mol
LogP5.91
Rot. Bonds6

About N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72705599) has the molecular formula C26H31Cl2N3O2 and a molecular weight of 488.46 g/mol. Its IUPAC name is N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID72705599
Molecular FormulaC26H31Cl2N3O2
Molecular Weight488.46 g/mol
Exact Mass487.18
IUPAC NameN-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H31Cl2N3O2/c27-23-10-9-20(16-24(23)28)26(33)30-22-8-4-5-18(15-22)17-31-13-11-19(12-14-31)25(32)29-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,29,32)(H,30,33)
InChIKeyDQYMDPWFUFHYSX-UHFFFAOYSA-N
XLogP5.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.46
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (CID 72705599) is N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DQYMDPWFUFHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N3O2/c27-23-10-9-20(16-24(23)28)26(33)30-22-8-4-5-18(15-22)17-31-13-11-19(12-14-31)25(32)29-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,29,32)(H,30,33).
What are the key properties of N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 488.46 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[3-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72705599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).