N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide

C18H26N2O2 — CID 82342699

IUPACN-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)N1CCC(=O)CC1
InChIInChI=1S/C18H26N2O2/c1-4-14-7-6-8-15(5-2)17(14)19-18(22)13(3)20-11-9-16(21)10-12-20/h6-8,13H,4-5,9-12H2,1-3H3,(H,19,22)
InChIKeyLGTHQLXFVNAJHD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.80
Rot. Bonds5

About N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide

N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide (PubChem CID 82342699) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide
PubChem CID82342699
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)N1CCC(=O)CC1
InChIInChI=1S/C18H26N2O2/c1-4-14-7-6-8-15(5-2)17(14)19-18(22)13(3)20-11-9-16(21)10-12-20/h6-8,13H,4-5,9-12H2,1-3H3,(H,19,22)
InChIKeyLGTHQLXFVNAJHD-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110884148
2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82342693
N-(2,6-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 110884119
1-[1-(2,6-diethylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904085
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 82041088
2,3-dibromo-N-(2,6-diethylphenyl)propanamide
CID 14820859
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
CID 3538975
2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 82202074

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide (CID 82342699) is N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide is CCc1cccc(CC)c1NC(=O)C(C)N1CCC(=O)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide?
The InChIKey is LGTHQLXFVNAJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-14-7-6-8-15(5-2)17(14)19-18(22)13(3)20-11-9-16(21)10-12-20/h6-8,13H,4-5,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide?
N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 82342699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).