1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one

C19H20N2O3 — CID 145164386

IUPAC1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)19(23)21-12-11-20(18(22)14-21)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyAKITVGSYTKFMCN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.18
Rot. Bonds4

About 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one

1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one (PubChem CID 145164386) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
PubChem CID145164386
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)19(23)21-12-11-20(18(22)14-21)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyAKITVGSYTKFMCN-UHFFFAOYSA-N
XLogP2.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 28872391
methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 70760409
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
CID 26346067
(6S)-4-(4-methoxybenzoyl)-6-(2-phenylethyl)-1-(pyridin-4-ylmethyl)piperazin-2-one
CID 122600866
1-[(3-chlorophenyl)methyl]-4-[4-methoxy-3-(2-pyridin-2-ylethynyl)benzoyl]piperazin-2-one
CID 69001499

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one?
The IUPAC name of 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one (CID 145164386) is 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one?
The canonical SMILES for 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one is COc1ccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one?
The InChIKey is AKITVGSYTKFMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)19(23)21-12-11-20(18(22)14-21)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3.
What are the key properties of 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one?
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 145164386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).