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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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).