3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide

C27H31N3O2 — CID 11362426

IUPAC3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCNCC3)cc2)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C27H31N3O2/c1-19(2)20-7-9-21(10-8-20)26-24(5-4-6-25(26)32-3)27(31)29-22-11-13-23(14-12-22)30-17-15-28-16-18-30/h4-14,19,28H,15-18H2,1-3H3,(H,29,31)
InChIKeyTXCITRASNHBORJ-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.15
Rot. Bonds6

About 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide

3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide (PubChem CID 11362426) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide
PubChem CID11362426
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCNCC3)cc2)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C27H31N3O2/c1-19(2)20-7-9-21(10-8-20)26-24(5-4-6-25(26)32-3)27(31)29-22-11-13-23(14-12-22)30-17-15-28-16-18-30/h4-14,19,28H,15-18H2,1-3H3,(H,29,31)
InChIKeyTXCITRASNHBORJ-UHFFFAOYSA-N
XLogP5.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)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

3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 10174229
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-propan-2-yl-2-(4-propan-2-ylphenyl)benzamide
CID 142248904
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 10116194
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-bromo-N-(4-piperazin-1-ylphenyl)propanamide
CID 57161707
6-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-N-(4-piperazin-1-ylphenyl)quinoline-4-carboxamide
CID 170383872
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide (CID 11362426) is 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide is COc1cccc(C(=O)Nc2ccc(N3CCNCC3)cc2)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide?
The InChIKey is TXCITRASNHBORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-19(2)20-7-9-21(10-8-20)26-24(5-4-6-25(26)32-3)27(31)29-22-11-13-23(14-12-22)30-17-15-28-16-18-30/h4-14,19,28H,15-18H2,1-3H3,(H,29,31).
What are the key properties of 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide?
3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide has a molecular weight of 429.56 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 11362426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).