N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C20H28ClN3O2 — CID 109147440

IUPACN-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl
InChIInChI=1S/C20H28ClN3O2/c1-14-3-8-17(13-18(14)21)22-19(25)15-4-6-16(7-5-15)20(26)24-11-9-23(2)10-12-24/h3,8,13,15-16H,4-7,9-12H2,1-2H3,(H,22,25)
InChIKeyCNMTZZPKMAAOHD-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.17
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147440) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147440
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl
InChIInChI=1S/C20H28ClN3O2/c1-14-3-8-17(13-18(14)21)22-19(25)15-4-6-16(7-5-15)20(26)24-11-9-23(2)10-12-24/h3,8,13,15-16H,4-7,9-12H2,1-2H3,(H,22,25)
InChIKeyCNMTZZPKMAAOHD-UHFFFAOYSA-N
XLogP3.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109147465
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
4-(4-methylpiperazine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109147427
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 109147452
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147440) is N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is CNMTZZPKMAAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-14-3-8-17(13-18(14)21)22-19(25)15-4-6-16(7-5-15)20(26)24-11-9-23(2)10-12-24/h3,8,13,15-16H,4-7,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).