(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

C16H15ClFN3O2 — CID 90559064

IUPAC(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C16H15ClFN3O2/c17-14-9-11(18)1-2-13(14)16(22)21-7-3-12(4-8-21)23-15-10-19-5-6-20-15/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyXKCBWORHLCRPOP-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.95
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90559064) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
PubChem CID90559064
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C16H15ClFN3O2/c17-14-9-11(18)1-2-13(14)16(22)21-7-3-12(4-8-21)23-15-10-19-5-6-20-15/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyXKCBWORHLCRPOP-UHFFFAOYSA-N
XLogP2.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-4-fluorophenyl)-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756942
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
(2-chloro-4-fluorophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560366
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753127
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
(2-nitrophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90559010
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616295
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636217
(4-pyrazin-2-yloxypiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95811378

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (CID 90559064) is (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is O=C(c1ccc(F)cc1Cl)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is XKCBWORHLCRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c17-14-9-11(18)1-2-13(14)16(22)21-7-3-12(4-8-21)23-15-10-19-5-6-20-15/h1-2,5-6,9-10,12H,3-4,7-8H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 335.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90559064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).