N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide

C12H15Cl2N3O — CID 108988464

IUPACN-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O/c1-16-5-7-17(8-6-16)12(18)15-11-9(13)3-2-4-10(11)14/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyAOMCLSKILMKHFU-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.77
Rot. Bonds1

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

N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 108988464) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
PubChem CID108988464
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC NameN-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O/c1-16-5-7-17(8-6-16)12(18)15-11-9(13)3-2-4-10(11)14/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyAOMCLSKILMKHFU-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 59419439
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109157
ethyl 2-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 3702390
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 86795696
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide (CID 108988464) is N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is AOMCLSKILMKHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-16-5-7-17(8-6-16)12(18)15-11-9(13)3-2-4-10(11)14/h2-4H,5-8H2,1H3,(H,15,18).
What are the key properties of N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide?
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 288.18 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108988464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).