8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C20H20F3N3O — CID 134795105

IUPAC8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccncc4)CC3)C2)c1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)17-3-1-2-16(12-17)18-13-19(27-25-18)6-10-26(11-7-19)14-15-4-8-24-9-5-15/h1-5,8-9,12H,6-7,10-11,13-14H2
InChIKeyKEBHCPOLPFOWNF-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.26
Rot. Bonds3

About 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134795105) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134795105
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccncc4)CC3)C2)c1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)17-3-1-2-16(12-17)18-13-19(27-25-18)6-10-26(11-7-19)14-15-4-8-24-9-5-15/h1-5,8-9,12H,6-7,10-11,13-14H2
InChIKeyKEBHCPOLPFOWNF-UHFFFAOYSA-N
XLogP4.26
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788234
(4-methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
4-[9-[[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.6]undec-2-en-3-yl]benzoic acid
CID 123360896
2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine
CID 95819638
1,3-benzodioxol-5-yl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134795239
O-[[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]] N-[3-(trifluoromethyl)phenyl]carbamothioate
CID 87764053
5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 95830092
5-(pyridin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 53186406
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 69323012
N-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 154756138
4-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 645747

Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134795105) is 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is FC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccncc4)CC3)C2)c1.
What is the InChIKey of 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is KEBHCPOLPFOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)17-3-1-2-16(12-17)18-13-19(27-25-18)6-10-26(11-7-19)14-15-4-8-24-9-5-15/h1-5,8-9,12H,6-7,10-11,13-14H2.
What are the key properties of 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 375.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134795105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).