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

C20H21ClN2O3 — CID 110644775

IUPAC3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
SMILESCOc1cccc(CCC(=O)N2CCNC(=O)C2c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O3/c1-26-17-4-2-3-14(13-17)5-10-18(24)23-12-11-22-20(25)19(23)15-6-8-16(21)9-7-15/h2-4,6-9,13,19H,5,10-12H2,1H3,(H,22,25)
InChIKeyHLLWQSJDHDMXOY-UHFFFAOYSA-N
MW372.85 g/mol
LogP2.98
Rot. Bonds5

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

3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one (PubChem CID 110644775) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
PubChem CID110644775
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
SMILESCOc1cccc(CCC(=O)N2CCNC(=O)C2c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O3/c1-26-17-4-2-3-14(13-17)5-10-18(24)23-12-11-22-20(25)19(23)15-6-8-16(21)9-7-15/h2-4,6-9,13,19H,5,10-12H2,1H3,(H,22,25)
InChIKeyHLLWQSJDHDMXOY-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 120803115
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one (CID 110644775) is 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one is COc1cccc(CCC(=O)N2CCNC(=O)C2c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one?
The InChIKey is HLLWQSJDHDMXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-17-4-2-3-14(13-17)5-10-18(24)23-12-11-22-20(25)19(23)15-6-8-16(21)9-7-15/h2-4,6-9,13,19H,5,10-12H2,1H3,(H,22,25).
What are the key properties of 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one?
3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one has a molecular weight of 372.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one is sourced from PubChem (CID 110644775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).