(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid

C23H21N3O3 — CID 170715996

IUPAC(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C23H21N3O3/c27-22(26-14-8-7-13-19(26)23(28)29)18-15-24-20(16-9-3-1-4-10-16)21(25-18)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,28,29)/t19-/m1/s1
InChIKeyWICRVKJSERHMPY-LJQANCHMSA-N
MW387.44 g/mol
LogP3.89
Rot. Bonds4

About (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 170715996) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID170715996
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C23H21N3O3/c27-22(26-14-8-7-13-19(26)23(28)29)18-15-24-20(16-9-3-1-4-10-16)21(25-18)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,28,29)/t19-/m1/s1
InChIKeyWICRVKJSERHMPY-LJQANCHMSA-N
XLogP3.89
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
1-(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 6235718
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid (CID 170715996) is (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WICRVKJSERHMPY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(26-14-8-7-13-19(26)23(28)29)18-15-24-20(16-9-3-1-4-10-16)21(25-18)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,28,29)/t19-/m1/s1.
What are the key properties of (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5,6-diphenylpyrazine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 170715996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).