N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide

C18H30F3N3O2 — CID 126798505

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCN(C)C1(CNC(=O)N2CCC(C(F)(F)F)C3(CCC3)C2)CCOCC1
InChIInChI=1S/C18H30F3N3O2/c1-23(2)17(7-10-26-11-8-17)12-22-15(25)24-9-4-14(18(19,20)21)16(13-24)5-3-6-16/h14H,3-13H2,1-2H3,(H,22,25)
InChIKeyKKPVPRONGZJSBD-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.86
Rot. Bonds3

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide (PubChem CID 126798505) has the molecular formula C18H30F3N3O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
PubChem CID126798505
Molecular FormulaC18H30F3N3O2
Molecular Weight377.45 g/mol
Exact Mass377.23
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCN(C)C1(CNC(=O)N2CCC(C(F)(F)F)C3(CCC3)C2)CCOCC1
InChIInChI=1S/C18H30F3N3O2/c1-23(2)17(7-10-26-11-8-17)12-22-15(25)24-9-4-14(18(19,20)21)16(13-24)5-3-6-16/h14H,3-13H2,1-2H3,(H,22,25)
InChIKeyKKPVPRONGZJSBD-UHFFFAOYSA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide (CID 126798505) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide is CN(C)C1(CNC(=O)N2CCC(C(F)(F)F)C3(CCC3)C2)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The InChIKey is KKPVPRONGZJSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3N3O2/c1-23(2)17(7-10-26-11-8-17)12-22-15(25)24-9-4-14(18(19,20)21)16(13-24)5-3-6-16/h14H,3-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide is sourced from PubChem (CID 126798505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).