1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C19H25F3N2O2 — CID 91910551

IUPAC1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C19H25F3N2O2/c1-13(25)24-10-15(11-26-2)19(12-24)3-5-23(6-4-19)9-14-7-17(21)18(22)8-16(14)20/h7-8,15H,3-6,9-12H2,1-2H3
InChIKeyQXTXPIWIOTYHNN-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.81
Rot. Bonds4

About 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91910551) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91910551
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C19H25F3N2O2/c1-13(25)24-10-15(11-26-2)19(12-24)3-5-23(6-4-19)9-14-7-17(21)18(22)8-16(14)20/h7-8,15H,3-6,9-12H2,1-2H3
InChIKeyQXTXPIWIOTYHNN-UHFFFAOYSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91910551) is 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(Cc1cc(F)c(F)cc1F)CC2.
What is the InChIKey of 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is QXTXPIWIOTYHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-13(25)24-10-15(11-26-2)19(12-24)3-5-23(6-4-19)9-14-7-17(21)18(22)8-16(14)20/h7-8,15H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 370.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91910551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).