N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C19H25Cl2N3O2 — CID 109147476

IUPACN-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN1CCN(C(=O)C2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)CC1
InChIInChI=1S/C19H25Cl2N3O2/c1-23-8-10-24(11-9-23)19(26)14-4-2-13(3-5-14)18(25)22-17-12-15(20)6-7-16(17)21/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,25)
InChIKeyGSRZUWJTRVFHOS-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.51
Rot. Bonds3

About N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147476) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147476
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN1CCN(C(=O)C2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)CC1
InChIInChI=1S/C19H25Cl2N3O2/c1-23-8-10-24(11-9-23)19(26)14-4-2-13(3-5-14)18(25)22-17-12-15(20)6-7-16(17)21/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,25)
InChIKeyGSRZUWJTRVFHOS-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-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

N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55338664
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
N-(2,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134297
N-[(4-chlorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147370
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147476) is N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is CN1CCN(C(=O)C2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is GSRZUWJTRVFHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c1-23-8-10-24(11-9-23)19(26)14-4-2-13(3-5-14)18(25)22-17-12-15(20)6-7-16(17)21/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,25).
What are the key properties of N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 398.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).