1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid

C16H21N3O4 — CID 122112866

IUPAC1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CNc1ccccc1C(N)=O
InChIInChI=1S/C16H21N3O4/c1-10-6-7-11(16(22)23)9-19(10)14(20)8-18-13-5-3-2-4-12(13)15(17)21/h2-5,10-11,18H,6-9H2,1H3,(H2,17,21)(H,22,23)
InChIKeyGXCHPLFLKOQHKH-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid

1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112866) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122112866
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CNc1ccccc1C(N)=O
InChIInChI=1S/C16H21N3O4/c1-10-6-7-11(16(22)23)9-19(10)14(20)8-18-13-5-3-2-4-12(13)15(17)21/h2-5,10-11,18H,6-9H2,1H3,(H2,17,21)(H,22,23)
InChIKeyGXCHPLFLKOQHKH-UHFFFAOYSA-N
XLogP0.91
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid
CID 122113359
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-[2-[(3-bromobenzoyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083898
2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid
CID 122067482
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113995
1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114437
6-methyl-1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-3-carboxylic acid
CID 122113753
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113705
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 122113865
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid (CID 122112866) is 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)CNc1ccccc1C(N)=O.
What is the InChIKey of 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is GXCHPLFLKOQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-6-7-11(16(22)23)9-19(10)14(20)8-18-13-5-3-2-4-12(13)15(17)21/h2-5,10-11,18H,6-9H2,1H3,(H2,17,21)(H,22,23).
What are the key properties of 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid?
1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).