5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one

C16H21BrN2O — CID 64654323

IUPAC5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CC(c3ccc(Br)cc3)C2)CCC1=O
InChIInChI=1S/C16H21BrN2O/c1-19-10-14(6-7-16(19)20)18-15-8-12(9-15)11-2-4-13(17)5-3-11/h2-5,12,14-15,18H,6-10H2,1H3
InChIKeyQOHUUEXLEMWJKW-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.91
Rot. Bonds3

About 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one

5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one (PubChem CID 64654323) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
PubChem CID64654323
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CC(c3ccc(Br)cc3)C2)CCC1=O
InChIInChI=1S/C16H21BrN2O/c1-19-10-14(6-7-16(19)20)18-15-8-12(9-15)11-2-4-13(17)5-3-11/h2-5,12,14-15,18H,6-10H2,1H3
InChIKeyQOHUUEXLEMWJKW-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one (CID 64654323) is 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one is CN1CC(NC2CC(c3ccc(Br)cc3)C2)CCC1=O.
What is the InChIKey of 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one?
The InChIKey is QOHUUEXLEMWJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-19-10-14(6-7-16(19)20)18-15-8-12(9-15)11-2-4-13(17)5-3-11/h2-5,12,14-15,18H,6-10H2,1H3.
What are the key properties of 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one?
5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one has a molecular weight of 337.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).