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

C19H21N3O4 — CID 46578919

IUPAC1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)cc1
InChIInChI=1S/C19H21N3O4/c1-26-16-7-5-15(6-8-16)19(25)21-12-10-20(11-13-21)18(24)14-22-9-3-2-4-17(22)23/h2-9H,10-14H2,1H3
InChIKeyJCSGXFQIDQVTII-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.84
Rot. Bonds4

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

1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 46578919) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID46578919
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)cc1
InChIInChI=1S/C19H21N3O4/c1-26-16-7-5-15(6-8-16)19(25)21-12-10-20(11-13-21)18(24)14-22-9-3-2-4-17(22)23/h2-9H,10-14H2,1H3
InChIKeyJCSGXFQIDQVTII-UHFFFAOYSA-N
XLogP0.84
TPSA71.85 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 ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
1-[2-[4-[5-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 155870446
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 46578919) is 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is COc1ccc(C(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is JCSGXFQIDQVTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-16-7-5-15(6-8-16)19(25)21-12-10-20(11-13-21)18(24)14-22-9-3-2-4-17(22)23/h2-9H,10-14H2,1H3.
What are the key properties of 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 355.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 46578919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).