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

C17H24N2O2 — CID 82342693

IUPAC2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-11-9-12(2)16(13(3)10-11)18-17(21)14(4)19-7-5-15(20)6-8-19/h9-10,14H,5-8H2,1-4H3,(H,18,21)
InChIKeyOKCHINHCODCELP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.60
Rot. Bonds3

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

2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 82342693) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID82342693
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-11-9-12(2)16(13(3)10-11)18-17(21)14(4)19-7-5-15(20)6-8-19/h9-10,14H,5-8H2,1-4H3,(H,18,21)
InChIKeyOKCHINHCODCELP-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide
CID 86984071
2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 86928056
N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide
CID 82342699
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86923497
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 82342693) is 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N2CCC(=O)CC2)c(C)c1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is OKCHINHCODCELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-9-12(2)16(13(3)10-11)18-17(21)14(4)19-7-5-15(20)6-8-19/h9-10,14H,5-8H2,1-4H3,(H,18,21).
What are the key properties of 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 82342693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).