4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide

C13H18BrN3O3 — CID 108560310

IUPAC4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H18BrN3O3/c1-16(2)13(19)17-7-5-9(6-8-17)15-12(18)10-3-4-11(14)20-10/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyWIQSQPWKQLJMBA-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.92
Rot. Bonds2

About 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide

4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 108560310) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID108560310
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H18BrN3O3/c1-16(2)13(19)17-7-5-9(6-8-17)15-12(18)10-3-4-11(14)20-10/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyWIQSQPWKQLJMBA-UHFFFAOYSA-N
XLogP1.92
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551725
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide (CID 108560310) is 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is WIQSQPWKQLJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-16(2)13(19)17-7-5-9(6-8-17)15-12(18)10-3-4-11(14)20-10/h3-4,9H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108560310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).