6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid

C15H20N2O3 — CID 16758877

IUPAC6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C2NC(C(=O)O)CCC2C)cc1
InChIInChI=1S/C15H20N2O3/c1-9-3-8-13(15(19)20)17-14(9)11-4-6-12(7-5-11)16-10(2)18/h4-7,9,13-14,17H,3,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyROKAEAVGHPIHCA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.16
Rot. Bonds3

About 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid

6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid (PubChem CID 16758877) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid
PubChem CID16758877
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C2NC(C(=O)O)CCC2C)cc1
InChIInChI=1S/C15H20N2O3/c1-9-3-8-13(15(19)20)17-14(9)11-4-6-12(7-5-11)16-10(2)18/h4-7,9,13-14,17H,3,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyROKAEAVGHPIHCA-UHFFFAOYSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]piperidine-2-carboxylic acid
CID 126480110
(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11242572
N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide
CID 826163
N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
CID 90397286
2,4-bis(4-acetamidophenyl)cyclobutane-1,3-dicarboxylic acid
CID 90464818
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
(2R,4R,5S)-4-methoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid
CID 54511745
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid?
The IUPAC name of 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid (CID 16758877) is 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid is CC(=O)Nc1ccc(C2NC(C(=O)O)CCC2C)cc1.
What is the InChIKey of 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid?
The InChIKey is ROKAEAVGHPIHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-3-8-13(15(19)20)17-14(9)11-4-6-12(7-5-11)16-10(2)18/h4-7,9,13-14,17H,3,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid?
6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 16758877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).