5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide

C13H17BrN2O3 — CID 51161739

IUPAC5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESCC1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C13H17BrN2O3/c1-9-3-2-6-16(8-9)12(17)7-15-13(18)10-4-5-11(14)19-10/h4-5,9H,2-3,6-8H2,1H3,(H,15,18)
InChIKeyXWEOFGZOPAYFQV-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 51161739) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
PubChem CID51161739
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESCC1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C13H17BrN2O3/c1-9-3-2-6-16(8-9)12(17)7-15-13(18)10-4-5-11(14)19-10/h4-5,9H,2-3,6-8H2,1H3,(H,15,18)
InChIKeyXWEOFGZOPAYFQV-UHFFFAOYSA-N
XLogP2.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514
5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 115875368
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899432
5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 55955381
N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 86791126
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide
CID 136515394
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 62468460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide (CID 51161739) is 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide is CC1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)C1.
What is the InChIKey of 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XWEOFGZOPAYFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9-3-2-6-16(8-9)12(17)7-15-13(18)10-4-5-11(14)19-10/h4-5,9H,2-3,6-8H2,1H3,(H,15,18).
What are the key properties of 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 51161739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).