N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide

C19H28ClN3O — CID 113104629

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(C3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H28ClN3O/c1-14-12-15(2)18(17(20)13-14)21-19(24)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h12-13,16H,3-11H2,1-2H3,(H,21,24)
InChIKeyZJMHURWTHPNRNZ-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.44
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide (PubChem CID 113104629) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
PubChem CID113104629
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(C3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H28ClN3O/c1-14-12-15(2)18(17(20)13-14)21-19(24)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h12-13,16H,3-11H2,1-2H3,(H,21,24)
InChIKeyZJMHURWTHPNRNZ-UHFFFAOYSA-N
XLogP4.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990335
2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 86928056
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide (CID 113104629) is N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide is Cc1cc(C)c(NC(=O)N2CCN(C3CCCCC3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
The InChIKey is ZJMHURWTHPNRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-14-12-15(2)18(17(20)13-14)21-19(24)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h12-13,16H,3-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide has a molecular weight of 349.91 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 113104629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).