2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile

C20H19F2N3O2 — CID 143639015

IUPAC2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(CCC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)9-12-25(13-10-20)18(26)8-5-15-3-6-17(7-4-15)27-19-16(14-23)2-1-11-24-19/h1-4,6-7,11H,5,8-10,12-13H2
InChIKeyMAADUFUTRVLJNT-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile

2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile (PubChem CID 143639015) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
PubChem CID143639015
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(CCC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)9-12-25(13-10-20)18(26)8-5-15-3-6-17(7-4-15)27-19-16(14-23)2-1-11-24-19/h1-4,6-7,11H,5,8-10,12-13H2
InChIKeyMAADUFUTRVLJNT-UHFFFAOYSA-N
XLogP3.94
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile (CID 143639015) is 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc(CCC(=O)N2CCC(F)(F)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is MAADUFUTRVLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-20(22)9-12-25(13-10-20)18(26)8-5-15-3-6-17(7-4-15)27-19-16(14-23)2-1-11-24-19/h1-4,6-7,11H,5,8-10,12-13H2.
What are the key properties of 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile?
2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 371.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 143639015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).