1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid

C15H15N3O3 — CID 104614062

IUPAC1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C15H15N3O3/c19-14(18-8-2-3-10(9-18)15(20)21)11-4-1-5-12-13(11)17-7-6-16-12/h1,4-7,10H,2-3,8-9H2,(H,20,21)
InChIKeyILWFUWBTLPTGRV-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.57
Rot. Bonds2

About 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid

1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 104614062) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID104614062
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C15H15N3O3/c19-14(18-8-2-3-10(9-18)15(20)21)11-4-1-5-12-13(11)17-7-6-16-12/h1,4-7,10H,2-3,8-9H2,(H,20,21)
InChIKeyILWFUWBTLPTGRV-UHFFFAOYSA-N
XLogP1.57
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
CID 104615547
(3S)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 107949380
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
CID 45246737

Frequently Asked Questions

What is the IUPAC name of 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid (CID 104614062) is 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cccc3nccnc23)C1.
What is the InChIKey of 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ILWFUWBTLPTGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(18-8-2-3-10(9-18)15(20)21)11-4-1-5-12-13(11)17-7-6-16-12/h1,4-7,10H,2-3,8-9H2,(H,20,21).
What are the key properties of 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid?
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104614062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).