(4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one

C19H25F3N2O — CID 99946053

IUPAC(4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@@]2(CCCNC2)C1=O
InChIInChI=1S/C19H25F3N2O/c1-17(2,3)24-11-15(18(16(24)25)8-5-9-23-12-18)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10,15,23H,5,8-9,11-12H2,1-3H3/t15-,18+/m1/s1
InChIKeyJWYPTMJAYSQBKG-QAPCUYQASA-N
MW354.42 g/mol
LogP3.80
Rot. Bonds1

About (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one

(4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 99946053) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID99946053
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name(4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@@]2(CCCNC2)C1=O
InChIInChI=1S/C19H25F3N2O/c1-17(2,3)24-11-15(18(16(24)25)8-5-9-23-12-18)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10,15,23H,5,8-9,11-12H2,1-3H3/t15-,18+/m1/s1
InChIKeyJWYPTMJAYSQBKG-QAPCUYQASA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 91799137
(4S,5R)-4-phenyl-2-(2,2,2-trifluoroethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 129391964
(3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine
CID 167488353
4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 91799142
3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 121207524
(4R)-2-tert-butyl-4-(2-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 99946061
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 165476719
(1S,5S)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 98043441
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 99946083
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one (CID 99946053) is (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one is CC(C)(C)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@@]2(CCCNC2)C1=O.
What is the InChIKey of (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JWYPTMJAYSQBKG-QAPCUYQASA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-17(2,3)24-11-15(18(16(24)25)8-5-9-23-12-18)13-6-4-7-14(10-13)19(20,21)22/h4,6-7,10,15,23H,5,8-9,11-12H2,1-3H3/t15-,18+/m1/s1.
What are the key properties of (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one?
(4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 354.42 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-tert-butyl-4-[3-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 99946053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).