4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride

C16H22Cl2N4O2 — CID 120770878

IUPAC4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(=O)CN2CCNCC2c2cccc(Cl)c2)CCN1
InChIInChI=1S/C16H21ClN4O2.ClH/c17-13-3-1-2-12(8-13)14-9-18-4-6-20(14)11-16(23)21-7-5-19-15(22)10-21;/h1-3,8,14,18H,4-7,9-11H2,(H,19,22);1H
InChIKeyOHGIIGFPGFOCEB-UHFFFAOYSA-N
MW373.28 g/mol
LogP0.67
Rot. Bonds3

About 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride

4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride (PubChem CID 120770878) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
PubChem CID120770878
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Name4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(=O)CN2CCNCC2c2cccc(Cl)c2)CCN1
InChIInChI=1S/C16H21ClN4O2.ClH/c17-13-3-1-2-12(8-13)14-9-18-4-6-20(14)11-16(23)21-7-5-19-15(22)10-21;/h1-3,8,14,18H,4-7,9-11H2,(H,19,22);1H
InChIKeyOHGIIGFPGFOCEB-UHFFFAOYSA-N
XLogP0.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 120770787
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one
CID 95146154
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one
CID 120871171
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride?
The IUPAC name of 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride (CID 120770878) is 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride is Cl.O=C1CN(C(=O)CN2CCNCC2c2cccc(Cl)c2)CCN1.
What is the InChIKey of 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride?
The InChIKey is OHGIIGFPGFOCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2.ClH/c17-13-3-1-2-12(8-13)14-9-18-4-6-20(14)11-16(23)21-7-5-19-15(22)10-21;/h1-3,8,14,18H,4-7,9-11H2,(H,19,22);1H.
What are the key properties of 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride?
4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride has a molecular weight of 373.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120770878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).