5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one

C12H15BrN2OS — CID 112739859

IUPAC5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one
SMILESNC1CCC(=O)N(C2CC2)C1c1csc(Br)c1
InChIInChI=1S/C12H15BrN2OS/c13-10-5-7(6-17-10)12-9(14)3-4-11(16)15(12)8-1-2-8/h5-6,8-9,12H,1-4,14H2
InChIKeySVSQAUTWFOSGSV-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.66
Rot. Bonds2

About 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one

5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one (PubChem CID 112739859) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one
PubChem CID112739859
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one
SMILESNC1CCC(=O)N(C2CC2)C1c1csc(Br)c1
InChIInChI=1S/C12H15BrN2OS/c13-10-5-7(6-17-10)12-9(14)3-4-11(16)15(12)8-1-2-8/h5-6,8-9,12H,1-4,14H2
InChIKeySVSQAUTWFOSGSV-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
CID 114454794
6-amino-7-(4-bromo-3-methylphenyl)-1-cyclopropylazepan-2-one
CID 66480106
5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 103570764
6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
CID 65021981
8-[(5-bromothiophen-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234821
4-(5-bromothiophen-3-yl)-1-methylpiperidine
CID 82380140
5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
CID 102844670
5-amino-6-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-2-one
CID 81441259
6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
CID 114488949
5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one
CID 106534346
N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 71885858
3-(5-bromothiophen-3-yl)-6-spiro[3.3]heptan-2-ylpiperazine-2,5-dione
CID 166273668

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one?
The IUPAC name of 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one (CID 112739859) is 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one?
The canonical SMILES for 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one is NC1CCC(=O)N(C2CC2)C1c1csc(Br)c1.
What is the InChIKey of 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one?
The InChIKey is SVSQAUTWFOSGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c13-10-5-7(6-17-10)12-9(14)3-4-11(16)15(12)8-1-2-8/h5-6,8-9,12H,1-4,14H2.
What are the key properties of 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one?
5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one has a molecular weight of 315.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-bromothiophen-3-yl)-1-cyclopropylpiperidin-2-one is sourced from PubChem (CID 112739859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).