2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

C20H26F3N3O2 — CID 11502150

IUPAC2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)14-2-7-17(24-12-14)25-10-1-8-19(13-25)9-11-26(18(19)28)15-3-5-16(27)6-4-15/h2,7,12,15-16,27H,1,3-6,8-11,13H2
InChIKeyGQQPVPCOCYLUDS-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.22
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11502150) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11502150
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)14-2-7-17(24-12-14)25-10-1-8-19(13-25)9-11-26(18(19)28)15-3-5-16(27)6-4-15/h2,7,12,15-16,27H,1,3-6,8-11,13H2
InChIKeyGQQPVPCOCYLUDS-UHFFFAOYSA-N
XLogP3.22
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (CID 11502150) is 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is GQQPVPCOCYLUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c21-20(22,23)14-2-7-17(24-12-14)25-10-1-8-19(13-25)9-11-26(18(19)28)15-3-5-16(27)6-4-15/h2,7,12,15-16,27H,1,3-6,8-11,13H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 397.44 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11502150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).