N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C18H25F3N4O2 — CID 56918675

IUPACN-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3nccc(CCC(F)(F)F)n3)CC2)O1
InChIInChI=1S/C18H25F3N4O2/c1-13(26)23-12-15-3-5-17(27-15)7-10-25(11-8-17)16-22-9-4-14(24-16)2-6-18(19,20)21/h4,9,15H,2-3,5-8,10-12H2,1H3,(H,23,26)
InChIKeyUHUFSMQURIFPEY-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.63
Rot. Bonds5

About N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 56918675) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID56918675
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3nccc(CCC(F)(F)F)n3)CC2)O1
InChIInChI=1S/C18H25F3N4O2/c1-13(26)23-12-15-3-5-17(27-15)7-10-25(11-8-17)16-22-9-4-14(24-16)2-6-18(19,20)21/h4,9,15H,2-3,5-8,10-12H2,1H3,(H,23,26)
InChIKeyUHUFSMQURIFPEY-UHFFFAOYSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 56918675) is N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NCC1CCC2(CCN(c3nccc(CCC(F)(F)F)n3)CC2)O1.
What is the InChIKey of N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is UHUFSMQURIFPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-13(26)23-12-15-3-5-17(27-15)7-10-25(11-8-17)16-22-9-4-14(24-16)2-6-18(19,20)21/h4,9,15H,2-3,5-8,10-12H2,1H3,(H,23,26).
What are the key properties of N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 386.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 56918675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).