2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C18H25ClN4O2 — CID 120770787

IUPAC2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CN1CCNCC1c1cccc(Cl)c1)NCC(=O)N1CCCC1
InChIInChI=1S/C18H25ClN4O2/c19-15-5-3-4-14(10-15)16-11-20-6-9-23(16)13-17(24)21-12-18(25)22-7-1-2-8-22/h3-5,10,16,20H,1-2,6-9,11-13H2,(H,21,24)
InChIKeyVDRDFZLFBUXIHV-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 120770787) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID120770787
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CN1CCNCC1c1cccc(Cl)c1)NCC(=O)N1CCCC1
InChIInChI=1S/C18H25ClN4O2/c19-15-5-3-4-14(10-15)16-11-20-6-9-23(16)13-17(24)21-12-18(25)22-7-1-2-8-22/h3-5,10,16,20H,1-2,6-9,11-13H2,(H,21,24)
InChIKeyVDRDFZLFBUXIHV-UHFFFAOYSA-N
XLogP1.02
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 120770996

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 120770787) is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is O=C(CN1CCNCC1c1cccc(Cl)c1)NCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is VDRDFZLFBUXIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c19-15-5-3-4-14(10-15)16-11-20-6-9-23(16)13-17(24)21-12-18(25)22-7-1-2-8-22/h3-5,10,16,20H,1-2,6-9,11-13H2,(H,21,24).
What are the key properties of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 364.88 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 120770787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).