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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42214760
cyclohexen-1-yl-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 133136236
cyclopenten-1-yl-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131648301
cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71918580
cyclopenten-1-yl-[(2R)-2-(ethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476477
2-chloro-5-[2-[4-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidin-1-yl]ethyl]pyridine;2,2,2-trifluoroacetic acid
CID 167798090
(6-phenyl-2-oxaspiro[3.3]heptan-6-yl)-[3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]pyrrolidin-1-yl]methanone
CID 167837735
1-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95193191
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181754
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanone
CID 59105220
1-(cyclopentene-1-carbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155876824

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).