2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine

C19H24F2N2O3 — CID 134579416

IUPAC2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine
SMILESCOC1CC(OC2CCN(c3ccnc(C#CC(F)(F)OC)c3)CC2)C1
InChIInChI=1S/C19H24F2N2O3/c1-24-17-12-18(13-17)26-16-5-9-23(10-6-16)15-4-8-22-14(11-15)3-7-19(20,21)25-2/h4,8,11,16-18H,5-6,9-10,12-13H2,1-2H3
InChIKeyJESCXTRDULPDGC-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.84
Rot. Bonds5

About 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine

2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine (PubChem CID 134579416) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine
PubChem CID134579416
Molecular FormulaC19H24F2N2O3
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine
SMILESCOC1CC(OC2CCN(c3ccnc(C#CC(F)(F)OC)c3)CC2)C1
InChIInChI=1S/C19H24F2N2O3/c1-24-17-12-18(13-17)26-16-5-9-23(10-6-16)15-4-8-22-14(11-15)3-7-19(20,21)25-2/h4,8,11,16-18H,5-6,9-10,12-13H2,1-2H3
InChIKeyJESCXTRDULPDGC-UHFFFAOYSA-N
XLogP2.84
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine?
The IUPAC name of 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine (CID 134579416) is 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine.
What is the SMILES notation for 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine?
The canonical SMILES for 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine is COC1CC(OC2CCN(c3ccnc(C#CC(F)(F)OC)c3)CC2)C1.
What is the InChIKey of 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine?
The InChIKey is JESCXTRDULPDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3/c1-24-17-12-18(13-17)26-16-5-9-23(10-6-16)15-4-8-22-14(11-15)3-7-19(20,21)25-2/h4,8,11,16-18H,5-6,9-10,12-13H2,1-2H3.
What are the key properties of 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine?
2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine has a molecular weight of 366.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-3-methoxyprop-1-ynyl)-4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]pyridine is sourced from PubChem (CID 134579416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).