1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone

C16H20ClN3O2 — CID 90513796

IUPAC1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H20ClN3O2/c1-12(21)20-10-13(11-20)16(22)19-7-5-18(6-8-19)15-4-2-3-14(17)9-15/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyKLWRJIQIYCMPCA-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.47
Rot. Bonds2

About 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone

1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone (PubChem CID 90513796) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
PubChem CID90513796
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H20ClN3O2/c1-12(21)20-10-13(11-20)16(22)19-7-5-18(6-8-19)15-4-2-3-14(17)9-15/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyKLWRJIQIYCMPCA-UHFFFAOYSA-N
XLogP1.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone 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-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 134059602
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7029150
[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 90512722
tert-butyl 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 84557684
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone (CID 90513796) is 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone is CC(=O)N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone?
The InChIKey is KLWRJIQIYCMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-12(21)20-10-13(11-20)16(22)19-7-5-18(6-8-19)15-4-2-3-14(17)9-15/h2-4,9,13H,5-8,10-11H2,1H3.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone?
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone has a molecular weight of 321.81 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 90513796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).