4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide

C32H34N2O2 — CID 23600607

IUPAC4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
SMILESCCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)C#Cc3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N2O2/c1-2-26-13-15-28(16-14-26)19-22-33-31(36)32(25-29-11-7-4-8-12-29)20-23-34(24-21-32)30(35)18-17-27-9-5-3-6-10-27/h3-16H,2,19-25H2,1H3,(H,33,36)
InChIKeyIXHXUUJYMAWDEV-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.81
Rot. Bonds7

About 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide

4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide (PubChem CID 23600607) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
PubChem CID23600607
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
SMILESCCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)C#Cc3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N2O2/c1-2-26-13-15-28(16-14-26)19-22-33-31(36)32(25-29-11-7-4-8-12-29)20-23-34(24-21-32)30(35)18-17-27-9-5-3-6-10-27/h3-16H,2,19-25H2,1H3,(H,33,36)
InChIKeyIXHXUUJYMAWDEV-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexa-1,3,4,5-tetraen-1-ylmethyl)-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
CID 142821564
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 23600598
1-[(2-aminoacetyl)-benzylsulfamoyl]-4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 59813901
4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600561
4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600576
4-benzyl-N-[2-(4-ethylcyclohexa-1,3-dien-1-yl)ethyl]-1-(morpholine-4-carbonyl)piperidine-4-carboxamide
CID 142821719
1-(3-phenylprop-2-ynoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145426
benzyl 4-[2-[2-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylate
CID 23600727
3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
CID 166615999
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
CID 158804163
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide (CID 23600607) is 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide is CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)C#Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide?
The InChIKey is IXHXUUJYMAWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-2-26-13-15-28(16-14-26)19-22-33-31(36)32(25-29-11-7-4-8-12-29)20-23-34(24-21-32)30(35)18-17-27-9-5-3-6-10-27/h3-16H,2,19-25H2,1H3,(H,33,36).
What are the key properties of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide?
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide is sourced from PubChem (CID 23600607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).