(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride

C12H21ClF3N3O — CID 155863000

IUPAC(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride
SMILESCNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCNCC2)C1.Cl
InChIInChI=1S/C12H20F3N3O.ClH/c1-16-10(19)18-7-2-9(12(13,14)15)11(8-18)3-5-17-6-4-11;/h9,17H,2-8H2,1H3,(H,16,19);1H/t9-;/m1./s1
InChIKeyKRNXUFNYQSJXMA-SBSPUUFOSA-N
MW315.77 g/mol
LogP2.00
Rot. Bonds

About (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride

(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride (PubChem CID 155863000) has the molecular formula C12H21ClF3N3O and a molecular weight of 315.77 g/mol. Its IUPAC name is (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride
PubChem CID155863000
Molecular FormulaC12H21ClF3N3O
Molecular Weight315.77 g/mol
Exact Mass315.13
IUPAC Name(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride
SMILESCNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCNCC2)C1.Cl
InChIInChI=1S/C12H20F3N3O.ClH/c1-16-10(19)18-7-2-9(12(13,14)15)11(8-18)3-5-17-6-4-11;/h9,17H,2-8H2,1H3,(H,16,19);1H/t9-;/m1./s1
InChIKeyKRNXUFNYQSJXMA-SBSPUUFOSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride?
The IUPAC name of (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride (CID 155863000) is (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride.
What is the SMILES notation for (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride?
The canonical SMILES for (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride is CNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCNCC2)C1.Cl.
What is the InChIKey of (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride?
The InChIKey is KRNXUFNYQSJXMA-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H20F3N3O.ClH/c1-16-10(19)18-7-2-9(12(13,14)15)11(8-18)3-5-17-6-4-11;/h9,17H,2-8H2,1H3,(H,16,19);1H/t9-;/m1./s1.
What are the key properties of (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride?
(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride has a molecular weight of 315.77 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride is sourced from PubChem (CID 155863000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).