[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

C20H23N3O3 — CID 110803082

IUPAC[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c(C)c1C
InChIInChI=1S/C20H23N3O3/c1-14-15(2)18(26-3)5-4-17(14)20(25)23-12-10-22(11-13-23)19(24)16-6-8-21-9-7-16/h4-9H,10-13H2,1-3H3
InChIKeyKIZABRDXTAKXSO-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.31
Rot. Bonds3

About [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110803082) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID110803082
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c(C)c1C
InChIInChI=1S/C20H23N3O3/c1-14-15(2)18(26-3)5-4-17(14)20(25)23-12-10-22(11-13-23)19(24)16-6-8-21-9-7-16/h4-9H,10-13H2,1-3H3
InChIKeyKIZABRDXTAKXSO-UHFFFAOYSA-N
XLogP2.31
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815443
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803045
2-(2-methoxy-5-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110803118
[4-(2-methoxy-3,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808590
(4-methoxy-2,3-dimethylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816899
[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815445
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814077
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 110803082) is [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c(C)c1C.
What is the InChIKey of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is KIZABRDXTAKXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-15(2)18(26-3)5-4-17(14)20(25)23-12-10-22(11-13-23)19(24)16-6-8-21-9-7-16/h4-9H,10-13H2,1-3H3.
What are the key properties of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 353.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110803082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).