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

C20H23F3N2O2 — CID 156864344

IUPAC2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CC(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)C2)N1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-3-1-13(2-4-16)14-6-9-25(10-7-14)18(27)15-11-19(12-15)8-5-17(26)24-19/h1-4,14-15H,5-12H2,(H,24,26)
InChIKeySYUDNBSURFKDSO-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.47
Rot. Bonds2

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

2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (PubChem CID 156864344) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
PubChem CID156864344
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CC(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)C2)N1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-3-1-13(2-4-16)14-6-9-25(10-7-14)18(27)15-11-19(12-15)8-5-17(26)24-19/h1-4,14-15H,5-12H2,(H,24,26)
InChIKeySYUDNBSURFKDSO-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (CID 156864344) is 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is O=C1CCC2(CC(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)C2)N1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The InChIKey is SYUDNBSURFKDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)16-3-1-13(2-4-16)14-6-9-25(10-7-14)18(27)15-11-19(12-15)8-5-17(26)24-19/h1-4,14-15H,5-12H2,(H,24,26).
What are the key properties of 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one has a molecular weight of 380.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).