1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

C14H16F3N3O — CID 150305620

IUPAC1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCCC2)N1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)11-5-4-10(8-18-11)20-12(21)19-9-13(20)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2,(H,19,21)
InChIKeyGKNIFLBSHPBQCW-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.33
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 150305620) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID150305620
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCCC2)N1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)11-5-4-10(8-18-11)20-12(21)19-9-13(20)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2,(H,19,21)
InChIKeyGKNIFLBSHPBQCW-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
N-(pyridin-3-yl)indoline-1-carboxamide
CID 10823903
1-Cyclohexyl-3-pyridin-3-ylurea
CID 721806
1-(Pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971723
1-(4-Methylphenyl)-3-pyridin-3-ylurea
CID 790714
N-cyclohexyl-N'-[4-(trifluoromethyl)-3-pyridyl]urea
CID 2726849
1-[(2,4-Difluorophenyl)methyl]-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726851
2-(3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
CID 2738281
1-(4-Butylphenyl)-3-pyridin-3-ylurea
CID 6464443
1-(4-Butylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6466017

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (CID 150305620) is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCCCC2)N1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is GKNIFLBSHPBQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)11-5-4-10(8-18-11)20-12(21)19-9-13(20)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2,(H,19,21).
What are the key properties of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 150305620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).