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

C13H17BrN2O4 — CID 115875368

IUPAC5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESCC1(O)CCCN(C(=O)CNC(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C13H17BrN2O4/c1-13(19)5-2-6-16(8-13)11(17)7-15-12(18)9-3-4-10(14)20-9/h3-4,19H,2,5-8H2,1H3,(H,15,18)
InChIKeyKSFILOWXLIGQTQ-UHFFFAOYSA-N
MW345.19 g/mol
LogP1.15
Rot. Bonds3

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

5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 115875368) has the molecular formula C13H17BrN2O4 and a molecular weight of 345.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
PubChem CID115875368
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
SMILESCC1(O)CCCN(C(=O)CNC(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C13H17BrN2O4/c1-13(19)5-2-6-16(8-13)11(17)7-15-12(18)9-3-4-10(14)20-9/h3-4,19H,2,5-8H2,1H3,(H,15,18)
InChIKeyKSFILOWXLIGQTQ-UHFFFAOYSA-N
XLogP1.15
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide
CID 136515394
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
CID 154835131
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960
5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 115760620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide (CID 115875368) is 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide is CC1(O)CCCN(C(=O)CNC(=O)c2ccc(Br)o2)C1.
What is the InChIKey of 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is KSFILOWXLIGQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4/c1-13(19)5-2-6-16(8-13)11(17)7-15-12(18)9-3-4-10(14)20-9/h3-4,19H,2,5-8H2,1H3,(H,15,18).
What are the key properties of 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 345.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 115875368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).