cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone

C17H22F2N2O — CID 23910095

IUPACcyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H22F2N2O/c18-15-5-6-16(19)14(11-15)12-20-7-9-21(10-8-20)17(22)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10,12H2
InChIKeyWHEKXGUKDMIPQO-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.80
Rot. Bonds3

About cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone

cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 23910095) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID23910095
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC Namecyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C17H22F2N2O/c18-15-5-6-16(19)14(11-15)12-20-7-9-21(10-8-20)17(22)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10,12H2
InChIKeyWHEKXGUKDMIPQO-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
[4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
CID 126712022
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 63846321
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23792504
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 8530548
(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 42923947
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 130451217
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone (CID 23910095) is cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is WHEKXGUKDMIPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c18-15-5-6-16(19)14(11-15)12-20-7-9-21(10-8-20)17(22)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10,12H2.
What are the key properties of cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 308.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 23910095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).