[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone

C17H22BrNO2 — CID 55555458

IUPAC[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C17H22BrNO2/c1-21-15-7-11-19(12-8-15)16(20)17(9-2-10-17)13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeyHZZBDSAEQALVAP-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.51
Rot. Bonds3

About [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone

[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 55555458) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID55555458
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C17H22BrNO2/c1-21-15-7-11-19(12-8-15)16(20)17(9-2-10-17)13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeyHZZBDSAEQALVAP-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
CID 119519076
[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
CID 71894711
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone (CID 55555458) is [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1.
What is the InChIKey of [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is HZZBDSAEQALVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-21-15-7-11-19(12-8-15)16(20)17(9-2-10-17)13-3-5-14(18)6-4-13/h3-6,15H,2,7-12H2,1H3.
What are the key properties of [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone?
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 352.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 55555458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).