7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

C16H21F3N4O — CID 72871782

IUPAC7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C16H21F3N4O/c1-11(2)23-8-3-5-15(13(23)24)6-9-22(10-15)14-20-7-4-12(21-14)16(17,18)19/h4,7,11H,3,5-6,8-10H2,1-2H3
InChIKeyDREOYZIPHVBWGN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.72
Rot. Bonds2

About 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72871782) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72871782
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C16H21F3N4O/c1-11(2)23-8-3-5-15(13(23)24)6-9-22(10-15)14-20-7-4-12(21-14)16(17,18)19/h4,7,11H,3,5-6,8-10H2,1-2H3
InChIKeyDREOYZIPHVBWGN-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11142526, Example 202
CID 137532977
US9624218, Example 16
CID 138374302
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
2-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2-azaspiro[4.4]nonane-1,3-dione
CID 2796300
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
2-Allyl-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70710344
2-[2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4-YL]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72871076
4,4,4-Trifluoro-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1-piperidyl]butan-1-one
CID 137509203
N-Cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 56593003
1-{1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}propan-1-one
CID 56593014
N-cyclohexyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 3223379
1-(4-Methylpyrimidin-2-YL)-N-(prop-2-EN-1-YL)piperidine-3-carboxamide
CID 3223400

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (CID 72871782) is 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O.
What is the InChIKey of 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DREOYZIPHVBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-11(2)23-8-3-5-15(13(23)24)6-9-22(10-15)14-20-7-4-12(21-14)16(17,18)19/h4,7,11H,3,5-6,8-10H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 342.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72871782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).