(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone

C17H18FN3O2 — CID 125003943

IUPAC(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C17H18FN3O2/c1-23-16-5-4-13(18)9-14(16)17(22)21-8-2-3-12(11-21)15-10-19-6-7-20-15/h4-7,9-10,12H,2-3,8,11H2,1H3/t12-/m0/s1
InChIKeySVALVMATKDQDTR-LBPRGKRZSA-N
MW315.35 g/mol
LogP2.64
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone

(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone (PubChem CID 125003943) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
PubChem CID125003943
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnccn2)C1
InChIInChI=1S/C17H18FN3O2/c1-23-16-5-4-13(18)9-14(16)17(22)21-8-2-3-12(11-21)15-10-19-6-7-20-15/h4-7,9-10,12H,2-3,8,11H2,1H3/t12-/m0/s1
InChIKeySVALVMATKDQDTR-LBPRGKRZSA-N
XLogP2.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone (CID 125003943) is (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone is COc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnccn2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The InChIKey is SVALVMATKDQDTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-16-5-4-13(18)9-14(16)17(22)21-8-2-3-12(11-21)15-10-19-6-7-20-15/h4-7,9-10,12H,2-3,8,11H2,1H3/t12-/m0/s1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 125003943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).