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

C18H24F3N3O2 — CID 70780884

IUPAC2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cc(C(F)(F)F)ccn3)CC2)CN1CCCO
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-3-7-22-15(12-14)23-9-5-17(6-10-23)4-2-16(26)24(13-17)8-1-11-25/h3,7,12,25H,1-2,4-6,8-11,13H2
InChIKeyINHKZAZHXMEOAV-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.69
Rot. Bonds4

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

2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70780884) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70780884
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cc(C(F)(F)F)ccn3)CC2)CN1CCCO
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-3-7-22-15(12-14)23-9-5-17(6-10-23)4-2-16(26)24(13-17)8-1-11-25/h3,7,12,25H,1-2,4-6,8-11,13H2
InChIKeyINHKZAZHXMEOAV-UHFFFAOYSA-N
XLogP2.69
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropyl)-9-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781998
(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97131703
(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97133670
2-(2-hydroxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70712571
(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
2-(3-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756706
1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
CID 76900169
2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70757156
6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid
CID 72841401
9-[(2,3-difluorophenyl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781347
4-[[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 70782249
9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70771548

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70780884) is 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(c3cc(C(F)(F)F)ccn3)CC2)CN1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is INHKZAZHXMEOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)14-3-7-22-15(12-14)23-9-5-17(6-10-23)4-2-16(26)24(13-17)8-1-11-25/h3,7,12,25H,1-2,4-6,8-11,13H2.
What are the key properties of 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70780884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).