1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile

C19H18F2N4O — CID 178142759

IUPAC1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc(N3CCC(Oc4ccc(F)cc4F)CC3)cn2)CC1
InChIInChI=1S/C19H18F2N4O/c20-13-1-2-16(15(21)9-13)26-14-3-7-25(8-4-14)18-11-23-17(10-24-18)19(12-22)5-6-19/h1-2,9-11,14H,3-8H2
InChIKeyFACFJHLKIMZJJY-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.36
Rot. Bonds4

About 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile

1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile (PubChem CID 178142759) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile
PubChem CID178142759
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc(N3CCC(Oc4ccc(F)cc4F)CC3)cn2)CC1
InChIInChI=1S/C19H18F2N4O/c20-13-1-2-16(15(21)9-13)26-14-3-7-25(8-4-14)18-11-23-17(10-24-18)19(12-22)5-6-19/h1-2,9-11,14H,3-8H2
InChIKeyFACFJHLKIMZJJY-UHFFFAOYSA-N
XLogP3.36
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile (CID 178142759) is 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile is N#CC1(c2cnc(N3CCC(Oc4ccc(F)cc4F)CC3)cn2)CC1.
What is the InChIKey of 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile?
The InChIKey is FACFJHLKIMZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-13-1-2-16(15(21)9-13)26-14-3-7-25(8-4-14)18-11-23-17(10-24-18)19(12-22)5-6-19/h1-2,9-11,14H,3-8H2.
What are the key properties of 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile?
1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile has a molecular weight of 356.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 178142759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).