[2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone

C18H23BrN2O — CID 66686401

IUPAC[2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1cccc(Br)c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23BrN2O/c19-14-4-1-3-13(11-14)16-12-17(16)18(22)21-9-7-20(8-10-21)15-5-2-6-15/h1,3-4,11,15-17H,2,5-10,12H2
InChIKeyFRDKWOZDEHJOMX-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.25
Rot. Bonds3

About [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone

[2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone (PubChem CID 66686401) has the molecular formula C18H23BrN2O and a molecular weight of 363.30 g/mol. Its IUPAC name is [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone
PubChem CID66686401
Molecular FormulaC18H23BrN2O
Molecular Weight363.30 g/mol
Exact Mass362.10
IUPAC Name[2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone
SMILESO=C(C1CC1c1cccc(Br)c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23BrN2O/c19-14-4-1-3-13(11-14)16-12-17(16)18(22)21-9-7-20(8-10-21)15-5-2-6-15/h1,3-4,11,15-17H,2,5-10,12H2
InChIKeyFRDKWOZDEHJOMX-UHFFFAOYSA-N
XLogP3.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone (CID 66686401) is [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone is O=C(C1CC1c1cccc(Br)c1)N1CCN(C2CCC2)CC1.
What is the InChIKey of [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone?
The InChIKey is FRDKWOZDEHJOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O/c19-14-4-1-3-13(11-14)16-12-17(16)18(22)21-9-7-20(8-10-21)15-5-2-6-15/h1,3-4,11,15-17H,2,5-10,12H2.
What are the key properties of [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone?
[2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone has a molecular weight of 363.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone is sourced from PubChem (CID 66686401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).