3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide

C24H30N2O2 — CID 108952134

IUPAC3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-3-21-11-7-8-18(2)24(21)25-22(27)17-23(28)26-14-12-20(13-15-26)16-19-9-5-4-6-10-19/h4-11,20H,3,12-17H2,1-2H3,(H,25,27)
InChIKeyGRNCAQOTAROCJS-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.37
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide

3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide (PubChem CID 108952134) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide
PubChem CID108952134
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-3-21-11-7-8-18(2)24(21)25-22(27)17-23(28)26-14-12-20(13-15-26)16-19-9-5-4-6-10-19/h4-11,20H,3,12-17H2,1-2H3,(H,25,27)
InChIKeyGRNCAQOTAROCJS-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952167
methyl 3-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952168
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950238
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide (CID 108952134) is 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide is CCc1cccc(C)c1NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide?
The InChIKey is GRNCAQOTAROCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-21-11-7-8-18(2)24(21)25-22(27)17-23(28)26-14-12-20(13-15-26)16-19-9-5-4-6-10-19/h4-11,20H,3,12-17H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide?
3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide has a molecular weight of 378.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 108952134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).