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

C14H20ClN3O — CID 108988438

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-10-8-11(2)13(12(15)9-10)16-14(19)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,16,19)
InChIKeyRKXHYERTEWAMNN-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds1

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

N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 108988438) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID108988438
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-10-8-11(2)13(12(15)9-10)16-14(19)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,16,19)
InChIKeyRKXHYERTEWAMNN-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 113104629
N-(2-chloro-4,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109121
N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990335
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
N-(2-chloro-4,6-dimethylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108990632
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109154641
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide (CID 108988438) is N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide is Cc1cc(C)c(NC(=O)N2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is RKXHYERTEWAMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-8-11(2)13(12(15)9-10)16-14(19)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,16,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 1 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-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108988438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).