1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C16H30F2N4O — CID 168983309

IUPAC1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)N1CCN(CC(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C16H30F2N4O/c1-13(2)21-9-10-22(11-14(17)18)16(12-21)5-7-20(8-6-16)15(23)19(3)4/h13-14H,5-12H2,1-4H3
InChIKeyDCUXAIKNRLFVKE-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.79
Rot. Bonds3

About 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 168983309) has the molecular formula C16H30F2N4O and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID168983309
Molecular FormulaC16H30F2N4O
Molecular Weight332.44 g/mol
Exact Mass332.24
IUPAC Name1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)N1CCN(CC(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C16H30F2N4O/c1-13(2)21-9-10-22(11-14(17)18)16(12-21)5-7-20(8-6-16)15(23)19(3)4/h13-14H,5-12H2,1-4H3
InChIKeyDCUXAIKNRLFVKE-UHFFFAOYSA-N
XLogP1.79
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124200332
(3,3-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752735
ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115517
N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115518
1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115577
1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115878
(4-Butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone
CID 166828303
1-(2,2-difluoroethyl)-4-ethyl-N,N-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202031
1-(2-fluoroethyl)-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090236
1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983517
[4-[[Ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone
CID 174368172
1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 176790138

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 168983309) is 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CC(C)N1CCN(CC(F)F)C2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is DCUXAIKNRLFVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N4O/c1-13(2)21-9-10-22(11-14(17)18)16(12-21)5-7-20(8-6-16)15(23)19(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 168983309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).