[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

C20H23N3O4 — CID 110803086

IUPAC[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cc(C)c(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-14-12-17(26-2)18(27-3)13-16(14)20(25)23-10-8-22(9-11-23)19(24)15-4-6-21-7-5-15/h4-7,12-13H,8-11H2,1-3H3
InChIKeyXYXRHBVWQRQAQK-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.01
Rot. Bonds4

About [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110803086) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID110803086
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cc(C)c(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-14-12-17(26-2)18(27-3)13-16(14)20(25)23-10-8-22(9-11-23)19(24)15-4-6-21-7-5-15/h4-7,12-13H,8-11H2,1-3H3
InChIKeyXYXRHBVWQRQAQK-UHFFFAOYSA-N
XLogP2.01
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
1-[4-(4,5-dimethoxy-2-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805556
[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802050
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
[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
[4-(2-methoxy-4,5-dimethylbenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802901
[4-(2-methoxy-3,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808590
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072126
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[4-(5-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991528

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 110803086) is [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is COc1cc(C)c(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1OC.
What is the InChIKey of [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is XYXRHBVWQRQAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-12-17(26-2)18(27-3)13-16(14)20(25)23-10-8-22(9-11-23)19(24)15-4-6-21-7-5-15/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 369.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110803086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).