3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one

C19H19ClN2O4 — CID 110656807

IUPAC3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CCNC(=O)C2c2cccc(Cl)c2)c1
InChIInChI=1S/C19H19ClN2O4/c1-25-15-9-13(10-16(11-15)26-2)19(24)22-7-6-21-18(23)17(22)12-4-3-5-14(20)8-12/h3-5,8-11,17H,6-7H2,1-2H3,(H,21,23)
InChIKeyVWDKVNFHLNKDQV-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.67
Rot. Bonds4

About 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one

3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one (PubChem CID 110656807) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
PubChem CID110656807
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
SMILESCOc1cc(OC)cc(C(=O)N2CCNC(=O)C2c2cccc(Cl)c2)c1
InChIInChI=1S/C19H19ClN2O4/c1-25-15-9-13(10-16(11-15)26-2)19(24)22-7-6-21-18(23)17(22)12-4-3-5-14(20)8-12/h3-5,8-11,17H,6-7H2,1-2H3,(H,21,23)
InChIKeyVWDKVNFHLNKDQV-UHFFFAOYSA-N
XLogP2.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 110656787
3-(3-chlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110656832
4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 110656831
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
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110656867
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644743

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one (CID 110656807) is 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one is COc1cc(OC)cc(C(=O)N2CCNC(=O)C2c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
The InChIKey is VWDKVNFHLNKDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-15-9-13(10-16(11-15)26-2)19(24)22-7-6-21-18(23)17(22)12-4-3-5-14(20)8-12/h3-5,8-11,17H,6-7H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one?
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one has a molecular weight of 374.82 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 110656807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).