5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

C34H35N3O2 — CID 24717040

IUPAC5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H35N3O2/c38-33(29-14-8-3-9-15-29)36-30-16-17-32(31(25-30)34(39)35-21-18-26-10-4-1-5-11-26)37-22-19-28(20-23-37)24-27-12-6-2-7-13-27/h1-17,25,28H,18-24H2,(H,35,39)(H,36,38)
InChIKeyDTUAVSHNIRVEID-UHFFFAOYSA-N
MW517.67 g/mol
LogP6.37
Rot. Bonds9

About 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (PubChem CID 24717040) has the molecular formula C34H35N3O2 and a molecular weight of 517.67 g/mol. Its IUPAC name is 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
PubChem CID24717040
Molecular FormulaC34H35N3O2
Molecular Weight517.67 g/mol
Exact Mass517.27
IUPAC Name5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H35N3O2/c38-33(29-14-8-3-9-15-29)36-30-16-17-32(31(25-30)34(39)35-21-18-26-10-4-1-5-11-26)37-22-19-28(20-23-37)24-27-12-6-2-7-13-27/h1-17,25,28H,18-24H2,(H,35,39)(H,36,38)
InChIKeyDTUAVSHNIRVEID-UHFFFAOYSA-N
XLogP6.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
CID 3879115
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
2-(4-benzylpiperidin-1-yl)-5-[(2,3-dimethylphenyl)carbamoylamino]-N-(2-phenylethyl)benzamide
CID 42659015
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3890026
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 3371890
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-[(4-hexylbenzoyl)amino]benzamide
CID 42663016
2-(4-benzylpiperidin-1-yl)-5-[(3-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 5032503

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (CID 24717040) is 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is DTUAVSHNIRVEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O2/c38-33(29-14-8-3-9-15-29)36-30-16-17-32(31(25-30)34(39)35-21-18-26-10-4-1-5-11-26)37-22-19-28(20-23-37)24-27-12-6-2-7-13-27/h1-17,25,28H,18-24H2,(H,35,39)(H,36,38).
What are the key properties of 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 517.67 g/mol, XLogP of 6.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 24717040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).