[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone

C19H21N3O4 — CID 1147892

IUPAC[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H21N3O4/c1-25-16-10-15(11-17(12-16)26-2)19(24)22-8-6-21(7-9-22)18(23)14-4-3-5-20-13-14/h3-5,10-13H,6-9H2,1-2H3
InChIKeyHLEMTPIRIPLWAS-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.70
Rot. Bonds4

About [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 1147892) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID1147892
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H21N3O4/c1-25-16-10-15(11-17(12-16)26-2)19(24)22-8-6-21(7-9-22)18(23)14-4-3-5-20-13-14/h3-5,10-13H,6-9H2,1-2H3
InChIKeyHLEMTPIRIPLWAS-UHFFFAOYSA-N
XLogP1.70
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 1147892) is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is HLEMTPIRIPLWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-25-16-10-15(11-17(12-16)26-2)19(24)22-8-6-21(7-9-22)18(23)14-4-3-5-20-13-14/h3-5,10-13H,6-9H2,1-2H3.
What are the key properties of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 355.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 1147892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).