7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one

C16H19F2N3O2 — CID 174589359

IUPAC7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(OC(F)F)cc2n1CCN1CCCCC1
InChIInChI=1S/C16H19F2N3O2/c17-16(18)23-12-10-14-13(19-11-12)4-5-15(22)21(14)9-8-20-6-2-1-3-7-20/h4-5,10-11,16H,1-3,6-9H2
InChIKeyBXYSIBBCHDLGOT-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.48
Rot. Bonds5

About 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one

7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one (PubChem CID 174589359) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one
PubChem CID174589359
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(OC(F)F)cc2n1CCN1CCCCC1
InChIInChI=1S/C16H19F2N3O2/c17-16(18)23-12-10-14-13(19-11-12)4-5-15(22)21(14)9-8-20-6-2-1-3-7-20/h4-5,10-11,16H,1-3,6-9H2
InChIKeyBXYSIBBCHDLGOT-UHFFFAOYSA-N
XLogP2.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one?
The IUPAC name of 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one (CID 174589359) is 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one is O=c1ccc2ncc(OC(F)F)cc2n1CCN1CCCCC1.
What is the InChIKey of 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one?
The InChIKey is BXYSIBBCHDLGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-16(18)23-12-10-14-13(19-11-12)4-5-15(22)21(14)9-8-20-6-2-1-3-7-20/h4-5,10-11,16H,1-3,6-9H2.
What are the key properties of 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one?
7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one has a molecular weight of 323.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-1-(2-piperidin-1-ylethyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 174589359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).