ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate

C16H17F2N3O2 — CID 170328521

IUPACethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-2-23-15(22)12-10-11-4-3-7-19-13(11)14(20-12)21-8-5-16(17,18)6-9-21/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyNSQBHRKKGXHHMU-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.04
Rot. Bonds3

About ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate

ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate (PubChem CID 170328521) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate
PubChem CID170328521
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Nameethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-2-23-15(22)12-10-11-4-3-7-19-13(11)14(20-12)21-8-5-16(17,18)6-9-21/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyNSQBHRKKGXHHMU-UHFFFAOYSA-N
XLogP3.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate?
The IUPAC name of ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate (CID 170328521) is ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate is CCOC(=O)c1cc2cccnc2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate?
The InChIKey is NSQBHRKKGXHHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-2-23-15(22)12-10-11-4-3-7-19-13(11)14(20-12)21-8-5-16(17,18)6-9-21/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate?
ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(4,4-difluoropiperidin-1-yl)-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 170328521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).