2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one

C26H35F3N4O2 — CID 11511544

IUPAC2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCN(c2ccccc2C(F)(F)F)CC1)N1CCCC2(CCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C26H35F3N4O2/c27-26(28,29)21-9-4-5-10-22(21)30-15-17-31(18-16-30)24(35)32-13-6-11-25(19-32)12-14-33(23(25)34)20-7-2-1-3-8-20/h4-5,9-10,20H,1-3,6-8,11-19H2
InChIKeyGLUBZBJDPWEDST-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.59
Rot. Bonds2

About 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one

2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11511544) has the molecular formula C26H35F3N4O2 and a molecular weight of 492.59 g/mol. Its IUPAC name is 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11511544
Molecular FormulaC26H35F3N4O2
Molecular Weight492.59 g/mol
Exact Mass492.27
IUPAC Name2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCN(c2ccccc2C(F)(F)F)CC1)N1CCCC2(CCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C26H35F3N4O2/c27-26(28,29)21-9-4-5-10-22(21)30-15-17-31(18-16-30)24(35)32-13-6-11-25(19-32)12-14-33(23(25)34)20-7-2-1-3-8-20/h4-5,9-10,20H,1-3,6-8,11-19H2
InChIKeyGLUBZBJDPWEDST-UHFFFAOYSA-N
XLogP4.59
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one (CID 11511544) is 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one is O=C(N1CCN(c2ccccc2C(F)(F)F)CC1)N1CCCC2(CCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is GLUBZBJDPWEDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N4O2/c27-26(28,29)21-9-4-5-10-22(21)30-15-17-31(18-16-30)24(35)32-13-6-11-25(19-32)12-14-33(23(25)34)20-7-2-1-3-8-20/h4-5,9-10,20H,1-3,6-8,11-19H2.
What are the key properties of 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?
2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 492.59 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-[4-[2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11511544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).