N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide

C18H26ClN3O — CID 18082339

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c1-21-9-11-22(12-10-21)17-8-7-15(19)13-16(17)20-18(23)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,20,23)
InChIKeyIAMHMYFANWFKBY-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.61
Rot. Bonds3

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide (PubChem CID 18082339) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
PubChem CID18082339
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c1-21-9-11-22(12-10-21)17-8-7-15(19)13-16(17)20-18(23)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,20,23)
InChIKeyIAMHMYFANWFKBY-UHFFFAOYSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
1-(4-chlorobenzoyl)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 112794351
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide
CID 2680095
N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 16566635
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262118
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30929926
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 35357464
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090179
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2670278
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide (CID 18082339) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide is CN1CCN(c2ccc(Cl)cc2NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is IAMHMYFANWFKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-21-9-11-22(12-10-21)17-8-7-15(19)13-16(17)20-18(23)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,20,23).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 335.88 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 18082339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).