N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

C13H18ClN3O — CID 22197633

IUPACN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-16-6-8-17(9-7-16)10-13(18)15-12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3,(H,15,18)
InChIKeyMKZLAQZMLQSCCN-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.53
Rot. Bonds3

About N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 22197633) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID22197633
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-16-6-8-17(9-7-16)10-13(18)15-12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3,(H,15,18)
InChIKeyMKZLAQZMLQSCCN-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
methyl 3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 31955891
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-(2-chlorophenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 34708396
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 22197633) is N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is MKZLAQZMLQSCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-16-6-8-17(9-7-16)10-13(18)15-12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3,(H,15,18).
What are the key properties of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22197633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).