2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H24F3N3O2 — CID 70750080

IUPAC2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(F)(F)F)cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1
InChIInChI=1S/C18H24F3N3O2/c1-13-10-14(18(19,20)21)11-15(22-13)23-6-4-17(5-7-23)3-2-16(26)24(12-17)8-9-25/h10-11,25H,2-9,12H2,1H3
InChIKeyPKNOZVJWJHSAFE-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70750080) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70750080
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(F)(F)F)cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1
InChIInChI=1S/C18H24F3N3O2/c1-13-10-14(18(19,20)21)11-15(22-13)23-6-4-17(5-7-23)3-2-16(26)24(12-17)8-9-25/h10-11,25H,2-9,12H2,1H3
InChIKeyPKNOZVJWJHSAFE-UHFFFAOYSA-N
XLogP2.61
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(6-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24956409
2-(2-Hydroxyethyl)-9-[6-(trifluoromethyl)pyridin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70734048
6-[2-(3-Hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]pyridine-2-carbonitrile
CID 70780044
2-Cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788640
6-[7-(2-Hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 72843875
7-Methyl-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72850474
7-(2-Methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72856752
2-[7-(2-Hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-4,6-dimethylnicotinonitrile
CID 72870786
6-Isopropyl-2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]nicotinonitrile
CID 70730777
2-[2-(2-Hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]-4,6-dimethylnicotinonitrile
CID 72930426
(6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579867
9-(6-Methyl-2-pyridinyl)-1,9-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 118742521

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70750080) is 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(C(F)(F)F)cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PKNOZVJWJHSAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-13-10-14(18(19,20)21)11-15(22-13)23-6-4-17(5-7-23)3-2-16(26)24(12-17)8-9-25/h10-11,25H,2-9,12H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.40 g/mol, XLogP of 2.61, 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-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70750080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).