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

C31H37N3O2 — CID 3879106

IUPAC2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
SMILESCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C31H37N3O2/c1-2-9-30(35)33-27-14-15-29(28(23-27)31(36)32-19-16-24-10-5-3-6-11-24)34-20-17-26(18-21-34)22-25-12-7-4-8-13-25/h3-8,10-15,23,26H,2,9,16-22H2,1H3,(H,32,36)(H,33,35)
InChIKeyUWYMWJUXZJQUFY-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.86
Rot. Bonds10

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

2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide (PubChem CID 3879106) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
PubChem CID3879106
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
SMILESCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C31H37N3O2/c1-2-9-30(35)33-27-14-15-29(28(23-27)31(36)32-19-16-24-10-5-3-6-11-24)34-20-17-26(18-21-34)22-25-12-7-4-8-13-25/h3-8,10-15,23,26H,2,9,16-22H2,1H3,(H,32,36)(H,33,35)
InChIKeyUWYMWJUXZJQUFY-UHFFFAOYSA-N
XLogP5.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.86
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

2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751292
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
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)-N-cyclopropyl-5-(decanoylamino)benzamide
CID 4012959
2-(4-benzylpiperidin-1-yl)-5-[(2,3-dimethylphenyl)carbamoylamino]-N-(2-phenylethyl)benzamide
CID 42659015
N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
CID 3879115
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42659443
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
2-(4-benzylpiperidin-1-yl)-5-(heptanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 4018849

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide (CID 3879106) is 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide is CCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is UWYMWJUXZJQUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-2-9-30(35)33-27-14-15-29(28(23-27)31(36)32-19-16-24-10-5-3-6-11-24)34-20-17-26(18-21-34)22-25-12-7-4-8-13-25/h3-8,10-15,23,26H,2,9,16-22H2,1H3,(H,32,36)(H,33,35).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide?
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 483.66 g/mol, XLogP of 5.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3879106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).