1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid

C16H20N2O3 — CID 84613952

IUPAC1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCN1Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2C1
InChIInChI=1S/C16H20N2O3/c1-17-9-13-3-2-12(8-14(13)10-17)15(19)18-6-4-11(5-7-18)16(20)21/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,21)
InChIKeyPRBBCMIZTXGOSF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.57
Rot. Bonds2

About 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid

1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 84613952) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID84613952
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCN1Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2C1
InChIInChI=1S/C16H20N2O3/c1-17-9-13-3-2-12(8-14(13)10-17)15(19)18-6-4-11(5-7-18)16(20)21/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,21)
InChIKeyPRBBCMIZTXGOSF-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
CID 68590313
1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 110465982
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
1-(3-acetamido-4-fluorobenzoyl)piperidine-4-carboxylic acid
CID 119166168
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid (CID 84613952) is 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid is CN1Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2C1.
What is the InChIKey of 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is PRBBCMIZTXGOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-9-13-3-2-12(8-14(13)10-17)15(19)18-6-4-11(5-7-18)16(20)21/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,21).
What are the key properties of 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid?
1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dihydroisoindole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 84613952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).