3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one

C21H23ClN2O2 — CID 110656877

IUPAC3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
SMILESCCc1ccc(CCC(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-2-15-6-8-16(9-7-15)10-11-19(25)24-13-12-23-21(26)20(24)17-4-3-5-18(22)14-17/h3-9,14,20H,2,10-13H2,1H3,(H,23,26)
InChIKeyMQWBYNWPTVUUCX-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.53
Rot. Bonds5

About 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one

3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one (PubChem CID 110656877) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
PubChem CID110656877
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
SMILESCCc1ccc(CCC(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-2-15-6-8-16(9-7-15)10-11-19(25)24-13-12-23-21(26)20(24)17-4-3-5-18(22)14-17/h3-9,14,20H,2,10-13H2,1H3,(H,23,26)
InChIKeyMQWBYNWPTVUUCX-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 110656787
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
CID 110644775
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110656867
4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 110656831
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
4-[3-(3-chloro-4-methylphenyl)propanoyl]-3-ethylpiperazin-2-one
CID 63601524

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one (CID 110656877) is 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one is CCc1ccc(CCC(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one?
The InChIKey is MQWBYNWPTVUUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-2-15-6-8-16(9-7-15)10-11-19(25)24-13-12-23-21(26)20(24)17-4-3-5-18(22)14-17/h3-9,14,20H,2,10-13H2,1H3,(H,23,26).
What are the key properties of 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one?
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one has a molecular weight of 370.88 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one is sourced from PubChem (CID 110656877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).