6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile

C24H27FN4O3 — CID 66856754

IUPAC6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(N3CCC(CCCO)(c4ccc(F)cc4)OC3=O)C2)nc1
InChIInChI=1S/C24H27FN4O3/c25-20-7-5-19(6-8-20)24(10-2-14-30)11-13-29(23(31)32-24)21-3-1-12-28(17-21)22-9-4-18(15-26)16-27-22/h4-9,16,21,30H,1-3,10-14,17H2
InChIKeyPAZKMTIRYBYIGM-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.57
Rot. Bonds6

About 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile

6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 66856754) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID66856754
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(N3CCC(CCCO)(c4ccc(F)cc4)OC3=O)C2)nc1
InChIInChI=1S/C24H27FN4O3/c25-20-7-5-19(6-8-20)24(10-2-14-30)11-13-29(23(31)32-24)21-3-1-12-28(17-21)22-9-4-18(15-26)16-27-22/h4-9,16,21,30H,1-3,10-14,17H2
InChIKeyPAZKMTIRYBYIGM-UHFFFAOYSA-N
XLogP3.57
TPSA89.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 66856754) is 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCCC(N3CCC(CCCO)(c4ccc(F)cc4)OC3=O)C2)nc1.
What is the InChIKey of 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PAZKMTIRYBYIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c25-20-7-5-19(6-8-20)24(10-2-14-30)11-13-29(23(31)32-24)21-3-1-12-28(17-21)22-9-4-18(15-26)16-27-22/h4-9,16,21,30H,1-3,10-14,17H2.
What are the key properties of 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 438.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[6-(4-fluorophenyl)-6-(3-hydroxypropyl)-2-oxo-1,3-oxazinan-3-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 66856754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).