2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid

C15H19N3O3 — CID 103999757

IUPAC2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)NC1CCNCC1)C2
InChIInChI=1S/C15H19N3O3/c19-14(20)10-1-2-11-8-18(9-12(11)7-10)15(21)17-13-3-5-16-6-4-13/h1-2,7,13,16H,3-6,8-9H2,(H,17,21)(H,19,20)
InChIKeyKXKZRYGIZMTMFN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.16
Rot. Bonds2

About 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103999757) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103999757
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)NC1CCNCC1)C2
InChIInChI=1S/C15H19N3O3/c19-14(20)10-1-2-11-8-18(9-12(11)7-10)15(21)17-13-3-5-16-6-4-13/h1-2,7,13,16H,3-6,8-9H2,(H,17,21)(H,19,20)
InChIKeyKXKZRYGIZMTMFN-UHFFFAOYSA-N
XLogP1.16
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999798
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 82582144
2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999653
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 105060018
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
CID 119046205
2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997300
4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid
CID 61402803
2-[(4-amino-4-oxobutyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999743
2-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999777
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103999757) is 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CN(C(=O)NC1CCNCC1)C2.
What is the InChIKey of 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is KXKZRYGIZMTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(20)10-1-2-11-8-18(9-12(11)7-10)15(21)17-13-3-5-16-6-4-13/h1-2,7,13,16H,3-6,8-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103999757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).