4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

C26H34N2O3 — CID 23600598

IUPAC4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-3-21-9-11-22(12-10-21)13-16-27-25(30)26(19-23-7-5-4-6-8-23)14-17-28(18-15-26)24(29)20-31-2/h4-12H,3,13-20H2,1-2H3,(H,27,30)
InChIKeyBUVQGGXVFJHHMT-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.41
Rot. Bonds9

About 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 23600598) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID23600598
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-3-21-9-11-22(12-10-21)13-16-27-25(30)26(19-23-7-5-4-6-8-23)14-17-28(18-15-26)24(29)20-31-2/h4-12H,3,13-20H2,1-2H3,(H,27,30)
InChIKeyBUVQGGXVFJHHMT-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
CID 23600607
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
1-[(2-aminoacetyl)-benzylsulfamoyl]-4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 59813901
4-benzyl-N-[2-(4-ethylcyclohexa-1,3-dien-1-yl)ethyl]-1-(morpholine-4-carbonyl)piperidine-4-carboxamide
CID 142821719
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-(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-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
4-benzyl-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600629
benzyl 4-[2-[2-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylate
CID 23600727
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 23600598) is 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)COC)CC2)cc1.
What is the InChIKey of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is BUVQGGXVFJHHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-3-21-9-11-22(12-10-21)13-16-27-25(30)26(19-23-7-5-4-6-8-23)14-17-28(18-15-26)24(29)20-31-2/h4-12H,3,13-20H2,1-2H3,(H,27,30).
What are the key properties of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 23600598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).