4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one

C16H20ClN3O2 — CID 95146154

IUPAC4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C16H20ClN3O2/c17-13-5-3-12(4-6-13)14-2-1-8-19(14)11-16(22)20-9-7-18-15(21)10-20/h3-6,14H,1-2,7-11H2,(H,18,21)/t14-/m0/s1
InChIKeyAVRVDQZQVCTDMC-AWEZNQCLSA-N
MW321.81 g/mol
LogP1.44
Rot. Bonds3

About 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one

4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one (PubChem CID 95146154) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one
PubChem CID95146154
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C16H20ClN3O2/c17-13-5-3-12(4-6-13)14-2-1-8-19(14)11-16(22)20-9-7-18-15(21)10-20/h3-6,14H,1-2,7-11H2,(H,18,21)/t14-/m0/s1
InChIKeyAVRVDQZQVCTDMC-AWEZNQCLSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one 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

4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
CID 120770878
methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate
CID 42576017
2-[2-(4-chlorophenyl)azepan-1-yl]acetic acid
CID 119135905
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
CID 25248409
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one
CID 128704501
4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
CID 36800649
2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 94418866
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione
CID 127255202
4-chloro-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]benzamide
CID 64722179
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one (CID 95146154) is 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one is O=C1CN(C(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one?
The InChIKey is AVRVDQZQVCTDMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-13-5-3-12(4-6-13)14-2-1-8-19(14)11-16(22)20-9-7-18-15(21)10-20/h3-6,14H,1-2,7-11H2,(H,18,21)/t14-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one?
4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one has a molecular weight of 321.81 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 95146154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).