3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one

C15H18ClN3O3 — CID 110656867

IUPAC3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)N2CCOCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O3/c16-12-3-1-2-11(10-12)13-14(20)17-4-5-19(13)15(21)18-6-8-22-9-7-18/h1-3,10,13H,4-9H2,(H,17,20)
InChIKeyORDAGTRNNSLXFY-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.27
Rot. Bonds1

About 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one

3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one (PubChem CID 110656867) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
PubChem CID110656867
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)N2CCOCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O3/c16-12-3-1-2-11(10-12)13-14(20)17-4-5-19(13)15(21)18-6-8-22-9-7-18/h1-3,10,13H,4-9H2,(H,17,20)
InChIKeyORDAGTRNNSLXFY-UHFFFAOYSA-N
XLogP1.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110657586
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 110656787
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
3-(3-chlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110656832
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 110656831
3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 154568818
morpholin-4-yl-(2-phenylpiperazin-1-yl)methanone
CID 128846745

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one (CID 110656867) is 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one is O=C1NCCN(C(=O)N2CCOCC2)C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The InChIKey is ORDAGTRNNSLXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-12-3-1-2-11(10-12)13-14(20)17-4-5-19(13)15(21)18-6-8-22-9-7-18/h1-3,10,13H,4-9H2,(H,17,20).
What are the key properties of 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one has a molecular weight of 323.78 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 110656867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).