(4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone

C18H23FN2O — CID 66686400

IUPAC(4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23FN2O/c19-14-6-4-13(5-7-14)16-12-17(16)18(22)21-10-8-20(9-11-21)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2
InChIKeyVGQVQUGJFKWOTB-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.63
Rot. Bonds3

About (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone

(4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 66686400) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID66686400
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23FN2O/c19-14-6-4-13(5-7-14)16-12-17(16)18(22)21-10-8-20(9-11-21)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2
InChIKeyVGQVQUGJFKWOTB-UHFFFAOYSA-N
XLogP2.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone (CID 66686400) is (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone is O=C(C1CC1c1ccc(F)cc1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is VGQVQUGJFKWOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c19-14-6-4-13(5-7-14)16-12-17(16)18(22)21-10-8-20(9-11-21)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
(4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 302.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 66686400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).