N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide

C14H20ClN3O — CID 62673321

IUPACN-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNCC2C)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-13(12(15)7-10)17-14(19)9-18-6-5-16-8-11(18)2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyLPYVREZWWHGWGX-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.88
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 62673321) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID62673321
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNCC2C)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-13(12(15)7-10)17-14(19)9-18-6-5-16-8-11(18)2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyLPYVREZWWHGWGX-UHFFFAOYSA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755103
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672270
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide (CID 62673321) is N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCNCC2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is LPYVREZWWHGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-3-4-13(12(15)7-10)17-14(19)9-18-6-5-16-8-11(18)2/h3-4,7,11,16H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 62673321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).