[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone

C19H20N2O3 — CID 3150576

IUPAC[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)19(23)21-13-11-20(12-14-21)18(22)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyWFFHQYKKOBPGIC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.29
Rot. Bonds3

About [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone

[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 3150576) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID3150576
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)19(23)21-13-11-20(12-14-21)18(22)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKeyWFFHQYKKOBPGIC-UHFFFAOYSA-N
XLogP2.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
4-benzoyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 2460838
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873914
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone (CID 3150576) is [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is WFFHQYKKOBPGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)19(23)21-13-11-20(12-14-21)18(22)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3.
What are the key properties of [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 324.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 3150576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).