2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one

C21H25F3N2O2 — CID 156864325

IUPAC2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCc1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H25F3N2O2/c1-13-2-3-15(10-17(13)21(22,23)24)14-5-8-26(9-6-14)19(28)16-11-20(12-16)7-4-18(27)25-20/h2-3,10,14,16H,4-9,11-12H2,1H3,(H,25,27)
InChIKeyYUXQHVYKRAMSPN-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.78
Rot. Bonds2

About 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one

2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (PubChem CID 156864325) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
PubChem CID156864325
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCc1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H25F3N2O2/c1-13-2-3-15(10-17(13)21(22,23)24)14-5-8-26(9-6-14)19(28)16-11-20(12-16)7-4-18(27)25-20/h2-3,10,14,16H,4-9,11-12H2,1H3,(H,25,27)
InChIKeyYUXQHVYKRAMSPN-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one with MolForge

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Related Compounds

US11787798, Example 10
CID 156864329
US11787798, Example 13
CID 156864340
US11787798, Example 125
CID 156864344
US11787798, Example 52
CID 156864437
US11787798, Example 72
CID 156864455
US11787798, Example 18
CID 166026893
US11787798, Example 152
CID 166173681
US11787798, Example 153
CID 166173690
US11787798, Example 4
CID 166173696
US11708359, Example 81
CID 166708562
US11708359, Example 70
CID 156825664
US11787798, Example 127
CID 156864283

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (CID 156864325) is 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is Cc1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The InChIKey is YUXQHVYKRAMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-13-2-3-15(10-17(13)21(22,23)24)14-5-8-26(9-6-14)19(28)16-11-20(12-16)7-4-18(27)25-20/h2-3,10,14,16H,4-9,11-12H2,1H3,(H,25,27).
What are the key properties of 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one has a molecular weight of 394.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).