(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C15H17F3N2O3 — CID 99822435

IUPAC(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@]2(CCOC2)C1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)11-2-1-3-12(8-11)19-13(21)20-5-7-23-14(9-20)4-6-22-10-14/h1-3,8H,4-7,9-10H2,(H,19,21)/t14-/m1/s1
InChIKeyGBCBTQPAOVAXOA-CQSZACIVSA-N
MW330.31 g/mol
LogP2.73
Rot. Bonds1

About (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 99822435) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID99822435
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@]2(CCOC2)C1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)11-2-1-3-12(8-11)19-13(21)20-5-7-23-14(9-20)4-6-22-10-14/h1-3,8H,4-7,9-10H2,(H,19,21)/t14-/m1/s1
InChIKeyGBCBTQPAOVAXOA-CQSZACIVSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138386808
(3aR,7aR)-2-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154812106
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 71801658
N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 90565791
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 91646674
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 74236074
(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide
CID 135102269
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
9-methyl-N-[2-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 138381723

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 99822435) is (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@]2(CCOC2)C1.
What is the InChIKey of (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is GBCBTQPAOVAXOA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)11-2-1-3-12(8-11)19-13(21)20-5-7-23-14(9-20)4-6-22-10-14/h1-3,8H,4-7,9-10H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 99822435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).