1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

C16H20N2O3 — CID 104598178

IUPAC1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O3/c1-16(14(19)20)8-4-5-9-18(16)15(21)17-10-12-6-2-3-7-13(12)11-17/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyHFQHJMCGWKCIBE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.45
Rot. Bonds1

About 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598178) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104598178
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O3/c1-16(14(19)20)8-4-5-9-18(16)15(21)17-10-12-6-2-3-7-13(12)11-17/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyHFQHJMCGWKCIBE-UHFFFAOYSA-N
XLogP2.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597842
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
1-(1,3-dihydroisoindole-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063858
2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
CID 104597977
2-methyl-1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylic acid
CID 104595377
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66395509
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64693700
1-(2,2-dimethylmorpholine-4-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597949

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (CID 104598178) is 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is HFQHJMCGWKCIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(14(19)20)8-4-5-9-18(16)15(21)17-10-12-6-2-3-7-13(12)11-17/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20).
What are the key properties of 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).