(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid

C11H14FN3O2 — CID 175804234

IUPAC(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cnc(N2C[C@@H](F)C[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C11H14FN3O2/c1-7-3-14-10(4-13-7)15-5-8(11(16)17)2-9(12)6-15/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyACOHKMXKMSWMIC-IUCAKERBSA-N
MW239.25 g/mol
LogP1.03
Rot. Bonds2

About (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid

(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid (PubChem CID 175804234) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid
PubChem CID175804234
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cnc(N2C[C@@H](F)C[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C11H14FN3O2/c1-7-3-14-10(4-13-7)15-5-8(11(16)17)2-9(12)6-15/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyACOHKMXKMSWMIC-IUCAKERBSA-N
XLogP1.03
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrazin-2-yl)piperidine-3-carboxylic acid
CID 16786441
3-(Cyclopropylmethyl)-1-(3,6-dimethyl-2-pyrazinyl)-3-piperidinecarboxylic acid
CID 72845365
1-(6-Methylpyrazin-2-Yl)Piperidine-3-Carboxylic Acid
CID 24229596
2,8-dimethyl-5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 138991189
rac-(6R,8S)-2,8-dimethyl-5H,6H,7H,8H-imidazo(1,2-a)pyridine-6-carboxylic acid hydrochloride
CID 138991251
Ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate
CID 60620177
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 170716488
1-[3-(Difluoromethyl)pyrazin-2-yl]piperidine-3-carboxylic acid
CID 121658798
1-[3-(Difluoromethyl)pyrazin-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122106445
2,8-dimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-6-carboxylic acid
CID 138991190
1-(3,6-Dimethylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 3224274
1-(6-Methylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 18525896

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid (CID 175804234) is (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid is Cc1cnc(N2C[C@@H](F)C[C@H](C(=O)O)C2)cn1.
What is the InChIKey of (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is ACOHKMXKMSWMIC-IUCAKERBSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7-3-14-10(4-13-7)15-5-8(11(16)17)2-9(12)6-15/h3-4,8-9H,2,5-6H2,1H3,(H,16,17)/t8-,9-/m0/s1.
What are the key properties of (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid?
(3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-fluoro-1-(5-methylpyrazin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 175804234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).