cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone

C14H18F3N3O — CID 167756410

IUPACcyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1=CCCC1)N1CCC(CC2(C(F)(F)F)N=N2)CC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)13(18-19-13)9-10-5-7-20(8-6-10)12(21)11-3-1-2-4-11/h3,10H,1-2,4-9H2
InChIKeyKDZLYMSUCGFMDZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.45
Rot. Bonds3

About cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone

cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 167756410) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID167756410
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Namecyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1=CCCC1)N1CCC(CC2(C(F)(F)F)N=N2)CC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)13(18-19-13)9-10-5-7-20(8-6-10)12(21)11-3-1-2-4-11/h3,10H,1-2,4-9H2
InChIKeyKDZLYMSUCGFMDZ-UHFFFAOYSA-N
XLogP3.45
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone (CID 167756410) is cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone is O=C(C1=CCCC1)N1CCC(CC2(C(F)(F)F)N=N2)CC1.
What is the InChIKey of cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is KDZLYMSUCGFMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)13(18-19-13)9-10-5-7-20(8-6-10)12(21)11-3-1-2-4-11/h3,10H,1-2,4-9H2.
What are the key properties of cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone?
cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 301.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 167756410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).