N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide

C18H26ClN3O — CID 2970234

IUPACN-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c1-14-16(19)8-5-9-17(14)20-18(23)22-12-10-21(11-13-22)15-6-3-2-4-7-15/h5,8-9,15H,2-4,6-7,10-13H2,1H3,(H,20,23)
InChIKeyWZBIBCPXHOHVLA-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.13
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide

N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide (PubChem CID 2970234) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
PubChem CID2970234
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC NameN-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H26ClN3O/c1-14-16(19)8-5-9-17(14)20-18(23)22-12-10-21(11-13-22)15-6-3-2-4-7-15/h5,8-9,15H,2-4,6-7,10-13H2,1H3,(H,20,23)
InChIKeyWZBIBCPXHOHVLA-UHFFFAOYSA-N
XLogP4.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide
CID 7345960
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide (CID 2970234) is N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide is Cc1c(Cl)cccc1NC(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
The InChIKey is WZBIBCPXHOHVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-14-16(19)8-5-9-17(14)20-18(23)22-12-10-21(11-13-22)15-6-3-2-4-7-15/h5,8-9,15H,2-4,6-7,10-13H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide has a molecular weight of 335.88 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 2970234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).