1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one

C22H26N2O3 — CID 70767558

IUPAC1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
SMILESCCCc1ccc(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-4-17-5-9-19(10-6-17)22(26)24-14-13-23(21(25)16-24)15-18-7-11-20(27-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3
InChIKeyZAIDFQNUNITWOC-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.13
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one

1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one (PubChem CID 70767558) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
PubChem CID70767558
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
SMILESCCCc1ccc(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-4-17-5-9-19(10-6-17)22(26)24-14-13-23(21(25)16-24)15-18-7-11-20(27-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3
InChIKeyZAIDFQNUNITWOC-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 70760409
1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 28872391
(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
1-[(4-methoxyphenyl)methyl]-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 118779086
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122564633
ethyl 6-hydroxy-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-diazepane-1-carboxylate
CID 118738613
2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 70774111
1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
1-[(3-methoxyphenyl)methyl]-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 118784345

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one (CID 70767558) is 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one is CCCc1ccc(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one?
The InChIKey is ZAIDFQNUNITWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-4-17-5-9-19(10-6-17)22(26)24-14-13-23(21(25)16-24)15-18-7-11-20(27-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one?
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one is sourced from PubChem (CID 70767558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).