5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

C29H34N4O2 — CID 4691475

IUPAC5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C29H34N4O2/c1-20-9-11-24(12-10-20)31-29(35)32-25-13-14-27(33-17-15-21(2)16-18-33)26(19-25)28(34)30-22(3)23-7-5-4-6-8-23/h4-14,19,21-22H,15-18H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyWTYIAOVSCXAKEX-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.37
Rot. Bonds6

About 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (PubChem CID 4691475) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
PubChem CID4691475
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C29H34N4O2/c1-20-9-11-24(12-10-20)31-29(35)32-25-13-14-27(33-17-15-21(2)16-18-33)26(19-25)28(34)30-22(3)23-7-5-4-6-8-23/h4-14,19,21-22H,15-18H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyWTYIAOVSCXAKEX-UHFFFAOYSA-N
XLogP6.37
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)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-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3395530
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 92907888
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 7301589
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4544278
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (CID 4691475) is 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is Cc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The InChIKey is WTYIAOVSCXAKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-20-9-11-24(12-10-20)31-29(35)32-25-13-14-27(33-17-15-21(2)16-18-33)26(19-25)28(34)30-22(3)23-7-5-4-6-8-23/h4-14,19,21-22H,15-18H2,1-3H3,(H,30,34)(H2,31,32,35).
What are the key properties of 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide has a molecular weight of 470.62 g/mol, XLogP of 6.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4691475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).