cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone

C15H17FN2O2 — CID 776748

IUPACcyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H17FN2O2/c16-13-4-2-1-3-12(13)15(20)18-9-7-17(8-10-18)14(19)11-5-6-11/h1-4,11H,5-10H2
InChIKeyYSUSQVSUSHXROD-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.52
Rot. Bonds2

About cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 776748) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID776748
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Namecyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H17FN2O2/c16-13-4-2-1-3-12(13)15(20)18-9-7-17(8-10-18)14(19)11-5-6-11/h1-4,11H,5-10H2
InChIKeyYSUSQVSUSHXROD-UHFFFAOYSA-N
XLogP1.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (CID 776748) is cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is YSUSQVSUSHXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-13-4-2-1-3-12(13)15(20)18-9-7-17(8-10-18)14(19)11-5-6-11/h1-4,11H,5-10H2.
What are the key properties of cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 276.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 776748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).