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

C12H20F3N3O — CID 97473932

IUPAC(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCNC(=O)N1CC[C@H](C(F)(F)F)C2(CCNCC2)C1
InChIInChI=1S/C12H20F3N3O/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)/t9-/m0/s1
InChIKeyGOXVIGKJRRQRLX-VIFPVBQESA-N
MW279.31 g/mol
LogP1.58
Rot. Bonds

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

(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 97473932) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID97473932
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCNC(=O)N1CC[C@H](C(F)(F)F)C2(CCNCC2)C1
InChIInChI=1S/C12H20F3N3O/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)/t9-/m0/s1
InChIKeyGOXVIGKJRRQRLX-VIFPVBQESA-N
XLogP1.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide (CID 97473932) is (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is CNC(=O)N1CC[C@H](C(F)(F)F)C2(CCNCC2)C1.
What is the InChIKey of (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is GOXVIGKJRRQRLX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20F3N3O/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)/t9-/m0/s1.
What are the key properties of (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide?
(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 97473932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).