(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid

C17H18FN3O2 — CID 95220617

IUPAC(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccccc2F)CCCN(c2cnccn2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-5-2-1-4-13(14)10-17(16(22)23)6-3-9-21(12-17)15-11-19-7-8-20-15/h1-2,4-5,7-8,11H,3,6,9-10,12H2,(H,22,23)/t17-/m1/s1
InChIKeyBJWPVOFAOSTAIO-QGZVFWFLSA-N
MW315.35 g/mol
LogP2.53
Rot. Bonds4

About (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid

(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid (PubChem CID 95220617) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid
PubChem CID95220617
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccccc2F)CCCN(c2cnccn2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-5-2-1-4-13(14)10-17(16(22)23)6-3-9-21(12-17)15-11-19-7-8-20-15/h1-2,4-5,7-8,11H,3,6,9-10,12H2,(H,22,23)/t17-/m1/s1
InChIKeyBJWPVOFAOSTAIO-QGZVFWFLSA-N
XLogP2.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(6-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 95551628
(3R)-1-(4-aminopyrimidin-2-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 95550282
(3S)-3-[(2-fluorophenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxylic acid
CID 95556815
(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
CID 95551911
(3S)-3-[(2-methylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxylic acid
CID 95549718
(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 95556205
(3R)-3-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95554969
3-[(2-fluorophenyl)methyl]oxane-3-carboxylic acid
CID 55149955
ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 42286753
3-[(2,4-difluorophenyl)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56879854
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3S)-1-(2-methylsulfanylpyrimidin-4-yl)-3-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95435764

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid (CID 95220617) is (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid is O=C(O)[C@@]1(Cc2ccccc2F)CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid?
The InChIKey is BJWPVOFAOSTAIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-5-2-1-4-13(14)10-17(16(22)23)6-3-9-21(12-17)15-11-19-7-8-20-15/h1-2,4-5,7-8,11H,3,6,9-10,12H2,(H,22,23)/t17-/m1/s1.
What are the key properties of (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid?
(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 95220617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).