cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone

C14H22F2N2O — CID 100765989

IUPACcyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H22F2N2O/c15-14(16)4-3-11(9-14)10-17-5-7-18(8-6-17)13(19)12-1-2-12/h11-12H,1-10H2/t11-/m1/s1
InChIKeyNWFTWIAIHGYTBD-LLVKDONJSA-N
MW272.34 g/mol
LogP1.98
Rot. Bonds3

About cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone (PubChem CID 100765989) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
PubChem CID100765989
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namecyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H22F2N2O/c15-14(16)4-3-11(9-14)10-17-5-7-18(8-6-17)13(19)12-1-2-12/h11-12H,1-10H2/t11-/m1/s1
InChIKeyNWFTWIAIHGYTBD-LLVKDONJSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114224333
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3,3-difluorocyclobutyl)ethanone
CID 167818478
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone (CID 100765989) is cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1.
What is the InChIKey of cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone?
The InChIKey is NWFTWIAIHGYTBD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22F2N2O/c15-14(16)4-3-11(9-14)10-17-5-7-18(8-6-17)13(19)12-1-2-12/h11-12H,1-10H2/t11-/m1/s1.
What are the key properties of cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone has a molecular weight of 272.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 100765989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).