1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C23H25F3N4O — CID 58579422

IUPAC1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncccc2n1CCN1CCC(CCc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)21-7-5-18(16-28-21)4-3-17-9-12-29(13-10-17)14-15-30-20-2-1-11-27-19(20)6-8-22(30)31/h1-2,5-8,11,16-17H,3-4,9-10,12-15H2
InChIKeyZQQKGWMKKQHTMX-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.16
Rot. Bonds6

About 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 58579422) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID58579422
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncccc2n1CCN1CCC(CCc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C23H25F3N4O/c24-23(25,26)21-7-5-18(16-28-21)4-3-17-9-12-29(13-10-17)14-15-30-20-2-1-11-27-19(20)6-8-22(30)31/h1-2,5-8,11,16-17H,3-4,9-10,12-15H2
InChIKeyZQQKGWMKKQHTMX-UHFFFAOYSA-N
XLogP4.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 58579422) is 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is O=c1ccc2ncccc2n1CCN1CCC(CCc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is ZQQKGWMKKQHTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c24-23(25,26)21-7-5-18(16-28-21)4-3-17-9-12-29(13-10-17)14-15-30-20-2-1-11-27-19(20)6-8-22(30)31/h1-2,5-8,11,16-17H,3-4,9-10,12-15H2.
What are the key properties of 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 430.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).