2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide

C11H13BrN2O3 — CID 106854038

IUPAC2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
SMILESCN1CC(NC(=O)c2ccoc2Br)CCC1=O
InChIInChI=1S/C11H13BrN2O3/c1-14-6-7(2-3-9(14)15)13-11(16)8-4-5-17-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,16)
InChIKeyPVBBRDGDYJVPHU-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.39
Rot. Bonds2

About 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide

2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide (PubChem CID 106854038) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
PubChem CID106854038
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
SMILESCN1CC(NC(=O)c2ccoc2Br)CCC1=O
InChIInChI=1S/C11H13BrN2O3/c1-14-6-7(2-3-9(14)15)13-11(16)8-4-5-17-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,16)
InChIKeyPVBBRDGDYJVPHU-UHFFFAOYSA-N
XLogP1.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 106853762
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 96505596
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 100756034
3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670012

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide (CID 106854038) is 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide is CN1CC(NC(=O)c2ccoc2Br)CCC1=O.
What is the InChIKey of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide?
The InChIKey is PVBBRDGDYJVPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-14-6-7(2-3-9(14)15)13-11(16)8-4-5-17-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,16).
What are the key properties of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide?
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide is sourced from PubChem (CID 106854038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).