1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid

C15H20N2O3 — CID 104597298

IUPAC1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-15(14(19)20)9-5-6-10-17(15)13(18)11-16-12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyANAPQJLPRJGBOP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds4

About 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid

1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597298) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104597298
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CNc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-15(14(19)20)9-5-6-10-17(15)13(18)11-16-12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyANAPQJLPRJGBOP-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 104594699
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
2-methyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 76746304
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
CID 119768979
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
2-methyl-1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylic acid
CID 104595377
2-methyl-1-[2-(5-methylfuran-2-yl)acetyl]piperidine-2-carboxylic acid
CID 115270705
2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 104597875

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid (CID 104597298) is 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)CNc1ccccc1.
What is the InChIKey of 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is ANAPQJLPRJGBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(14(19)20)9-5-6-10-17(15)13(18)11-16-12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-11H2,1H3,(H,19,20).
What are the key properties of 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid?
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).