[4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

C18H19N3O3 — CID 717212

IUPAC[4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H19N3O3/c1-24-16-5-3-2-4-15(16)18(23)21-12-10-20(11-13-21)17(22)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
InChIKeyBVFRWIBOGJYLDT-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.69
Rot. Bonds3

About [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 717212) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID717212
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H19N3O3/c1-24-16-5-3-2-4-15(16)18(23)21-12-10-20(11-13-21)17(22)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
InChIKeyBVFRWIBOGJYLDT-UHFFFAOYSA-N
XLogP1.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Picotamide
CID 4814
Piclozotan
CID 9801640
Minopafant
CID 130990
Picotamide monohydrate
CID 6419975
BI-9564
CID 117072549
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
2-Methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
CID 139582022
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 717212) is [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is COc1ccccc1C(=O)N1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is BVFRWIBOGJYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-16-5-3-2-4-15(16)18(23)21-12-10-20(11-13-21)17(22)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3.
What are the key properties of [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 325.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxybenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 717212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).