1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C24H34F3N5O — CID 57421118

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESO=C(CN1CCc2nc(N3CCCC(C(F)(F)F)C3)ccc2C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H34F3N5O/c25-24(26,27)19-3-2-9-32(16-19)22-7-6-18-15-29(10-8-21(18)28-22)17-23(33)31-13-11-30(12-14-31)20-4-1-5-20/h6-7,19-20H,1-5,8-17H2
InChIKeyHFIDFAGSSBHTAV-UHFFFAOYSA-N
MW465.56 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 57421118) has the molecular formula C24H34F3N5O and a molecular weight of 465.56 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID57421118
Molecular FormulaC24H34F3N5O
Molecular Weight465.56 g/mol
Exact Mass465.27
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESO=C(CN1CCc2nc(N3CCCC(C(F)(F)F)C3)ccc2C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H34F3N5O/c25-24(26,27)19-3-2-9-32(16-19)22-7-6-18-15-29(10-8-21(18)28-22)17-23(33)31-13-11-30(12-14-31)20-4-1-5-20/h6-7,19-20H,1-5,8-17H2
InChIKeyHFIDFAGSSBHTAV-UHFFFAOYSA-N
XLogP2.92
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 57421118) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is O=C(CN1CCc2nc(N3CCCC(C(F)(F)F)C3)ccc2C1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is HFIDFAGSSBHTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5O/c25-24(26,27)19-3-2-9-32(16-19)22-7-6-18-15-29(10-8-21(18)28-22)17-23(33)31-13-11-30(12-14-31)20-4-1-5-20/h6-7,19-20H,1-5,8-17H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 465.56 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)piperidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 57421118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).