4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide

C25H33N3O2 — CID 163663259

IUPAC4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2C)cc1
InChIInChI=1S/C25H33N3O2/c1-19-18-22(28-16-12-21(13-17-28)27-14-4-3-5-15-27)8-11-24(19)26-25(29)20-6-9-23(30-2)10-7-20/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,26,29)
InChIKeyIWEREHHNTZIOTH-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.71
Rot. Bonds5

About 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide

4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide (PubChem CID 163663259) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide
PubChem CID163663259
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2C)cc1
InChIInChI=1S/C25H33N3O2/c1-19-18-22(28-16-12-21(13-17-28)27-14-4-3-5-15-27)8-11-24(19)26-25(29)20-6-9-23(30-2)10-7-20/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,26,29)
InChIKeyIWEREHHNTZIOTH-UHFFFAOYSA-N
XLogP4.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]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

5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782152
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 110361913
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452966
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
4-chloro-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401881
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide (CID 163663259) is 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is IWEREHHNTZIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19-18-22(28-16-12-21(13-17-28)27-14-4-3-5-15-27)8-11-24(19)26-25(29)20-6-9-23(30-2)10-7-20/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,26,29).
What are the key properties of 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide?
4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 163663259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).