N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

C15H20ClN3O2 — CID 113171118

IUPACN-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-12(20)19(14-6-4-3-5-13(14)16)11-15(21)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3
InChIKeyBXDWDCCYKYMGDI-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.47
Rot. Bonds3

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

N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113171118) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113171118
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O2/c1-12(20)19(14-6-4-3-5-13(14)16)11-15(21)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3
InChIKeyBXDWDCCYKYMGDI-UHFFFAOYSA-N
XLogP1.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113171712
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113172796
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113181233
N-(2,5-dichlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179693
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113171118) is N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(C)CC1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is BXDWDCCYKYMGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-12(20)19(14-6-4-3-5-13(14)16)11-15(21)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 309.80 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113171118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).