[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

C19H20F2N2O — CID 45179184

IUPAC[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C19H20F2N2O/c20-17-6-1-7-18(21)16(17)9-8-14-4-3-11-23(13-14)19(24)15-5-2-10-22-12-15/h1-2,5-7,10,12,14H,3-4,8-9,11,13H2
InChIKeyCWXJNIVAHYORFQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.84
Rot. Bonds4

About [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 45179184) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID45179184
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C19H20F2N2O/c20-17-6-1-7-18(21)16(17)9-8-14-4-3-11-23(13-14)19(24)15-5-2-10-22-12-15/h1-2,5-7,10,12,14H,3-4,8-9,11,13H2
InChIKeyCWXJNIVAHYORFQ-UHFFFAOYSA-N
XLogP3.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 45179184) is [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC(CCc2c(F)cccc2F)C1.
What is the InChIKey of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is CWXJNIVAHYORFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c20-17-6-1-7-18(21)16(17)9-8-14-4-3-11-23(13-14)19(24)15-5-2-10-22-12-15/h1-2,5-7,10,12,14H,3-4,8-9,11,13H2.
What are the key properties of [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 330.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 45179184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).