3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

C20H23N3O4 — CID 70752830

IUPAC3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-13-12-17(18(24)21-14(13)2)20(26)23-10-8-22(9-11-23)19(25)15-4-6-16(27-3)7-5-15/h4-7,12H,8-11H2,1-3H3,(H,21,24)
InChIKeyBBGDNGCKKWPTFB-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.60
Rot. Bonds3

About 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 70752830) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
PubChem CID70752830
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-13-12-17(18(24)21-14(13)2)20(26)23-10-8-22(9-11-23)19(25)15-4-6-16(27-3)7-5-15/h4-7,12H,8-11H2,1-3H3,(H,21,24)
InChIKeyBBGDNGCKKWPTFB-UHFFFAOYSA-N
XLogP1.60
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one 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-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 48691660
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135532108
5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25455356
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70773461
[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110808179

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (CID 70752830) is 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one is COc1ccc(C(=O)N2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is BBGDNGCKKWPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-12-17(18(24)21-14(13)2)20(26)23-10-8-22(9-11-23)19(25)15-4-6-16(27-3)7-5-15/h4-7,12H,8-11H2,1-3H3,(H,21,24).
What are the key properties of 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 369.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 70752830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).