2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one

C17H22F3N3O2 — CID 70734048

IUPAC2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cccc(C(F)(F)F)n3)CC2)CN1CCO
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-2-1-3-14(21-13)22-8-6-16(7-9-22)5-4-15(25)23(12-16)10-11-24/h1-3,24H,4-12H2
InChIKeyRPYDDHWDCZDLBS-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70734048) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70734048
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cccc(C(F)(F)F)n3)CC2)CN1CCO
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-2-1-3-14(21-13)22-8-6-16(7-9-22)5-4-15(25)23(12-16)10-11-24/h1-3,24H,4-12H2
InChIKeyRPYDDHWDCZDLBS-UHFFFAOYSA-N
XLogP2.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70734048) is 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(c3cccc(C(F)(F)F)n3)CC2)CN1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RPYDDHWDCZDLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)13-2-1-3-14(21-13)22-8-6-16(7-9-22)5-4-15(25)23(12-16)10-11-24/h1-3,24H,4-12H2.
What are the key properties of 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[6-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70734048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).