9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one

C20H25ClF3N3O — CID 11524500

IUPAC9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C20H25ClF3N3O/c21-16-11-14(20(22,23)24)12-25-17(16)26-9-4-7-19(13-26)8-10-27(18(19)28)15-5-2-1-3-6-15/h11-12,15H,1-10,13H2
InChIKeyXFJNFZKKGCLFMI-UHFFFAOYSA-N
MW415.89 g/mol
LogP4.91
Rot. Bonds2

About 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one

9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11524500) has the molecular formula C20H25ClF3N3O and a molecular weight of 415.89 g/mol. Its IUPAC name is 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11524500
Molecular FormulaC20H25ClF3N3O
Molecular Weight415.89 g/mol
Exact Mass415.16
IUPAC Name9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C20H25ClF3N3O/c21-16-11-14(20(22,23)24)12-25-17(16)26-9-4-7-19(13-26)8-10-27(18(19)28)15-5-2-1-3-6-15/h11-12,15H,1-10,13H2
InChIKeyXFJNFZKKGCLFMI-UHFFFAOYSA-N
XLogP4.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one (CID 11524500) is 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCCCC2)CCC12CCCN(c1ncc(C(F)(F)F)cc1Cl)C2.
What is the InChIKey of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is XFJNFZKKGCLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF3N3O/c21-16-11-14(20(22,23)24)12-25-17(16)26-9-4-7-19(13-26)8-10-27(18(19)28)15-5-2-1-3-6-15/h11-12,15H,1-10,13H2.
What are the key properties of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one?
9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 415.89 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11524500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).