4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid

C14H19N3O2 — CID 117030660

IUPAC4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(C1CCNCC1)CCN2
InChIInChI=1S/C14H19N3O2/c18-14(19)10-1-2-12-13(9-10)17(8-7-16-12)11-3-5-15-6-4-11/h1-2,9,11,15-16H,3-8H2,(H,18,19)
InChIKeyLJGHFGOAMSEFKL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.37
Rot. Bonds2

About 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid

4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid (PubChem CID 117030660) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
PubChem CID117030660
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(C1CCNCC1)CCN2
InChIInChI=1S/C14H19N3O2/c18-14(19)10-1-2-12-13(9-10)17(8-7-16-12)11-3-5-15-6-4-11/h1-2,9,11,15-16H,3-8H2,(H,18,19)
InChIKeyLJGHFGOAMSEFKL-UHFFFAOYSA-N
XLogP1.37
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117006556
5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
CID 83820018
(4aS)-10-chloro-1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1,5]benzodiazepine
CID 71268113
1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031626
4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid
CID 117030843
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433
4-(2-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030646
4-[2-(methylamino)ethyl]-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030644
1-piperidin-4-ylindole-6-carboxylic acid
CID 59439473
1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1]benzazepine-9-carboxylic acid
CID 68801411
3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
CID 91566156
2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 82582144

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid (CID 117030660) is 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid is O=C(O)c1ccc2c(c1)N(C1CCNCC1)CCN2.
What is the InChIKey of 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid?
The InChIKey is LJGHFGOAMSEFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(19)10-1-2-12-13(9-10)17(8-7-16-12)11-3-5-15-6-4-11/h1-2,9,11,15-16H,3-8H2,(H,18,19).
What are the key properties of 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid?
4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 117030660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).