5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide

C15H22BrN3O3 — CID 119555101

IUPAC5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NCCC1CCCNC1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H22BrN3O3/c1-19(15(21)12-4-5-13(16)22-12)10-14(20)18-8-6-11-3-2-7-17-9-11/h4-5,11,17H,2-3,6-10H2,1H3,(H,18,20)
InChIKeyFEDFRJHLGNUZMW-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.62
Rot. Bonds6

About 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide (PubChem CID 119555101) has the molecular formula C15H22BrN3O3 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide
PubChem CID119555101
Molecular FormulaC15H22BrN3O3
Molecular Weight372.26 g/mol
Exact Mass371.08
IUPAC Name5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NCCC1CCCNC1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H22BrN3O3/c1-19(15(21)12-4-5-13(16)22-12)10-14(20)18-8-6-11-3-2-7-17-9-11/h4-5,11,17H,2-3,6-10H2,1H3,(H,18,20)
InChIKeyFEDFRJHLGNUZMW-UHFFFAOYSA-N
XLogP1.62
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
CID 119557038
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119556582
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]-2-methylpropanoic acid
CID 119236875
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide (CID 119555101) is 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide is CN(CC(=O)NCCC1CCCNC1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide?
The InChIKey is FEDFRJHLGNUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3/c1-19(15(21)12-4-5-13(16)22-12)10-14(20)18-8-6-11-3-2-7-17-9-11/h4-5,11,17H,2-3,6-10H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 119555101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).