3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide

C22H27N3O3 — CID 131944338

IUPAC3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)Nc3cccc(C)c3)C(C)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-5-4-6-18(13-16)23-21(26)14-22(27)25-12-11-24(15-17(25)2)19-7-9-20(28-3)10-8-19/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,23,26)
InChIKeyRJOQCIMXIRCPJZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.07
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide

3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide (PubChem CID 131944338) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
PubChem CID131944338
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
SMILESCOc1ccc(N2CCN(C(=O)CC(=O)Nc3cccc(C)c3)C(C)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-5-4-6-18(13-16)23-21(26)14-22(27)25-12-11-24(15-17(25)2)19-7-9-20(28-3)10-8-19/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,23,26)
InChIKeyRJOQCIMXIRCPJZ-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide 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

N-(3,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952778
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70772439
1-[3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70719150
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide
CID 97435699
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
(2S)-4-[6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 93101096
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide (CID 131944338) is 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide is COc1ccc(N2CCN(C(=O)CC(=O)Nc3cccc(C)c3)C(C)C2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide?
The InChIKey is RJOQCIMXIRCPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-5-4-6-18(13-16)23-21(26)14-22(27)25-12-11-24(15-17(25)2)19-7-9-20(28-3)10-8-19/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,23,26).
What are the key properties of 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide?
3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide has a molecular weight of 381.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 131944338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).