4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one

C10H16F2N2O — CID 129348358

IUPAC4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
SMILESO=C1CN(C[C@@H]2CCC(F)(F)C2)CCN1
InChIInChI=1S/C10H16F2N2O/c11-10(12)2-1-8(5-10)6-14-4-3-13-9(15)7-14/h8H,1-7H2,(H,13,15)/t8-/m1/s1
InChIKeyZGTWZGSMXYRCNO-MRVPVSSYSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds2

About 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one

4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one (PubChem CID 129348358) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
PubChem CID129348358
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
SMILESO=C1CN(C[C@@H]2CCC(F)(F)C2)CCN1
InChIInChI=1S/C10H16F2N2O/c11-10(12)2-1-8(5-10)6-14-4-3-13-9(15)7-14/h8H,1-7H2,(H,13,15)/t8-/m1/s1
InChIKeyZGTWZGSMXYRCNO-MRVPVSSYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
CID 126793831
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
CID 129355482
1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one
CID 139389018
4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
CID 128702306
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
CID 156593487
4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
CID 126790707
4-[(1-methylcyclopropyl)methyl]piperazin-2-one
CID 130831729
cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
CID 100765989
1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114224333
4-(aminomethyl)piperazin-2-one
CID 170083985
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one?
The IUPAC name of 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one (CID 129348358) is 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one is O=C1CN(C[C@@H]2CCC(F)(F)C2)CCN1.
What is the InChIKey of 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one?
The InChIKey is ZGTWZGSMXYRCNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)2-1-8(5-10)6-14-4-3-13-9(15)7-14/h8H,1-7H2,(H,13,15)/t8-/m1/s1.
What are the key properties of 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one?
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one has a molecular weight of 218.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one is sourced from PubChem (CID 129348358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).