5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid

C18H19N3O3 — CID 120685797

IUPAC5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCC1CN(C(=O)c2cnc(C(=O)O)cn2)CCC1c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-12-11-21(8-7-14(12)13-5-3-2-4-6-13)17(22)15-9-20-16(10-19-15)18(23)24/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,23,24)
InChIKeyUXIPHFQMZGXLKW-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.44
Rot. Bonds3

About 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid

5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 120685797) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID120685797
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCC1CN(C(=O)c2cnc(C(=O)O)cn2)CCC1c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-12-11-21(8-7-14(12)13-5-3-2-4-6-13)17(22)15-9-20-16(10-19-15)18(23)24/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,23,24)
InChIKeyUXIPHFQMZGXLKW-UHFFFAOYSA-N
XLogP2.44
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
CID 154846754
3-[(3S,4R)-3-methyl-4-phenylpiperidine-1-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136729315
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424
1-[(3S,4R)-3-methyl-4-phenylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124591000
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685819
(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336209
(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
CID 119805710
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)pyrazine-2-carboxylic acid
CID 120689040
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 120741824

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid (CID 120685797) is 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid is CC1CN(C(=O)c2cnc(C(=O)O)cn2)CCC1c1ccccc1.
What is the InChIKey of 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is UXIPHFQMZGXLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-11-21(8-7-14(12)13-5-3-2-4-6-13)17(22)15-9-20-16(10-19-15)18(23)24/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,23,24).
What are the key properties of 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).