cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone

C12H17F2NO — CID 126785948

IUPACcyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2=CCCC2)CCC1(F)F
InChIInChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h4,9H,2-3,5-8H2,1H3
InChIKeyJWHUXRYHUHPNNQ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.60
Rot. Bonds1

About cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone

cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone (PubChem CID 126785948) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
PubChem CID126785948
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Namecyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2=CCCC2)CCC1(F)F
InChIInChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h4,9H,2-3,5-8H2,1H3
InChIKeyJWHUXRYHUHPNNQ-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-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

azetidin-1-yl(cyclopenten-1-yl)methanone
CID 126994970
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(cyclopenten-1-yl)methanone
CID 125207293
1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
CID 136543686
ethyl 1-(cyclopentene-1-carbonyl)piperidine-3-carboxylate
CID 46113474
[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(cyclohexen-1-yl)methanone
CID 125206545
[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 164632570
1-(cyclopentene-1-carbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155876824
cyclopenten-1-yl-[(2R)-2-(ethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476477
1-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]pent-4-en-1-one
CID 125143336
cyclohexen-1-yl-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 133136236
cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
CID 129351892

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone (CID 126785948) is cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)C2=CCCC2)CCC1(F)F.
What is the InChIKey of cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
The InChIKey is JWHUXRYHUHPNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h4,9H,2-3,5-8H2,1H3.
What are the key properties of cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone has a molecular weight of 229.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 126785948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).