1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one

C15H19BrN2O2 — CID 82859484

IUPAC1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
SMILESCOc1cc(Br)cc(N2CCCC(NC3CC3)C2=O)c1
InChIInChI=1S/C15H19BrN2O2/c1-20-13-8-10(16)7-12(9-13)18-6-2-3-14(15(18)19)17-11-4-5-11/h7-9,11,14,17H,2-6H2,1H3
InChIKeyHNXOXDJJPZSXJA-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one

1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one (PubChem CID 82859484) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
PubChem CID82859484
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
SMILESCOc1cc(Br)cc(N2CCCC(NC3CC3)C2=O)c1
InChIInChI=1S/C15H19BrN2O2/c1-20-13-8-10(16)7-12(9-13)18-6-2-3-14(15(18)19)17-11-4-5-11/h7-9,11,14,17H,2-6H2,1H3
InChIKeyHNXOXDJJPZSXJA-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579720
3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
CID 115379175
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
CID 107623351
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
CID 107579697
1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 82860351
1-(2-bromo-6-chloro-4-fluorophenyl)-3-(cyclopropylamino)piperidin-2-one
CID 107617205
1-(3-bromo-5-methoxyphenyl)piperidin-4-one
CID 82867907
1-(3-bromo-5-methoxyphenyl)-4-methylpiperidine
CID 155289674
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 119341765
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119341782

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one (CID 82859484) is 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one is COc1cc(Br)cc(N2CCCC(NC3CC3)C2=O)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one?
The InChIKey is HNXOXDJJPZSXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-20-13-8-10(16)7-12(9-13)18-6-2-3-14(15(18)19)17-11-4-5-11/h7-9,11,14,17H,2-6H2,1H3.
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one?
1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one has a molecular weight of 339.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one is sourced from PubChem (CID 82859484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).