cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C16H21FN2O — CID 113074078

IUPACcyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O/c17-15-7-2-1-4-14(15)12-18-8-10-19(11-9-18)16(20)13-5-3-6-13/h1-2,4,7,13H,3,5-6,8-12H2
InChIKeyXALCSPYNZFHMBS-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.27
Rot. Bonds3

About cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 113074078) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID113074078
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Namecyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O/c17-15-7-2-1-4-14(15)12-18-8-10-19(11-9-18)16(20)13-5-3-6-13/h1-2,4,7,13H,3,5-6,8-12H2
InChIKeyXALCSPYNZFHMBS-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 113074079
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 95568602
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559689
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 113074078) is cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XALCSPYNZFHMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-7-2-1-4-14(15)12-18-8-10-19(11-9-18)16(20)13-5-3-6-13/h1-2,4,7,13H,3,5-6,8-12H2.
What are the key properties of cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 276.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113074078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).