1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid

C15H17N3O2 — CID 3611610

IUPAC1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O2/c19-15(20)14-7-3-4-8-18(14)10-11-9-16-12-5-1-2-6-13(12)17-11/h1-2,5-6,9,14H,3-4,7-8,10H2,(H,19,20)
InChIKeyGFYREPBZBRXRIS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.07
Rot. Bonds3

About 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid

1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 3611610) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
PubChem CID3611610
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O2/c19-15(20)14-7-3-4-8-18(14)10-11-9-16-12-5-1-2-6-13(12)17-11/h1-2,5-6,9,14H,3-4,7-8,10H2,(H,19,20)
InChIKeyGFYREPBZBRXRIS-UHFFFAOYSA-N
XLogP2.07
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
2-[1-(quinoxalin-2-ylmethyl)azepan-2-yl]-1-thiophen-2-ylethanol
CID 136552433
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
1-cyclopropyl-2-quinoxalin-2-ylethanone
CID 63355169
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579

Frequently Asked Questions

What is the IUPAC name of 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid (CID 3611610) is 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cnc2ccccc2n1.
What is the InChIKey of 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is GFYREPBZBRXRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)14-7-3-4-8-18(14)10-11-9-16-12-5-1-2-6-13(12)17-11/h1-2,5-6,9,14H,3-4,7-8,10H2,(H,19,20).
What are the key properties of 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid?
1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 3611610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).