2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide

C24H33N3O — CID 86981700

IUPAC2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C24H33N3O/c1-19-7-6-8-22(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20(2)9-10-21(23)3/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,25,28)
InChIKeyXRBXAUKFADQHHA-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.94
Rot. Bonds7

About 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide

2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 86981700) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID86981700
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C24H33N3O/c1-19-7-6-8-22(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20(2)9-10-21(23)3/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,25,28)
InChIKeyXRBXAUKFADQHHA-UHFFFAOYSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide 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

2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513204
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
CID 161383648
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
CID 46402933
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide (CID 86981700) is 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide is Cc1cccc(N2CCN(CCCCNC(=O)c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is XRBXAUKFADQHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19-7-6-8-22(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20(2)9-10-21(23)3/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,25,28).
What are the key properties of 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 379.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 86981700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).