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

C15H20ClN3O2 — CID 2233452

IUPAC2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCN1CCN(C(=O)CNC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2/c1-18-6-8-19(9-7-18)15(21)11-17-14(20)10-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyVDRKDWUZQQHMQC-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.77
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 2233452) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID2233452
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCN1CCN(C(=O)CNC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2/c1-18-6-8-19(9-7-18)15(21)11-17-14(20)10-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyVDRKDWUZQQHMQC-UHFFFAOYSA-N
XLogP0.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 2233452) is 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is CN1CCN(C(=O)CNC(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is VDRKDWUZQQHMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-18-6-8-19(9-7-18)15(21)11-17-14(20)10-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H,17,20).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 309.80 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 2233452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).