1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C14H27FN4O — CID 166115878

IUPAC1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CCF)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H27FN4O/c1-16(2)13(20)18-7-4-14(5-8-18)12-17(3)10-11-19(14)9-6-15/h4-12H2,1-3H3
InChIKeyMMDWOMCOTQUYPC-UHFFFAOYSA-N
MW286.39 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 166115878) has the molecular formula C14H27FN4O and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID166115878
Molecular FormulaC14H27FN4O
Molecular Weight286.39 g/mol
Exact Mass286.22
IUPAC Name1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CCF)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H27FN4O/c1-16(2)13(20)18-7-4-14(5-8-18)12-17(3)10-11-19(14)9-6-15/h4-12H2,1-3H3
InChIKeyMMDWOMCOTQUYPC-UHFFFAOYSA-N
XLogP0.72
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 166115878) is 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CN1CCN(CCF)C2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is MMDWOMCOTQUYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN4O/c1-16(2)13(20)18-7-4-14(5-8-18)12-17(3)10-11-19(14)9-6-15/h4-12H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 286.39 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 166115878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).