5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide

C15H22BrN3O3 — CID 86823045

IUPAC5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)N1CCC(N(C)C)CC1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H22BrN3O3/c1-17(2)11-6-8-19(9-7-11)14(20)10-18(3)15(21)12-4-5-13(16)22-12/h4-5,11H,6-10H2,1-3H3
InChIKeyIBMGIQQLAWEABF-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.67
Rot. Bonds4

About 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 86823045) has the molecular formula C15H22BrN3O3 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID86823045
Molecular FormulaC15H22BrN3O3
Molecular Weight372.26 g/mol
Exact Mass371.08
IUPAC Name5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)N1CCC(N(C)C)CC1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H22BrN3O3/c1-17(2)11-6-8-19(9-7-11)14(20)10-18(3)15(21)12-4-5-13(16)22-12/h4-5,11H,6-10H2,1-3H3
InChIKeyIBMGIQQLAWEABF-UHFFFAOYSA-N
XLogP1.67
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178133
5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119644278
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119409324
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119483359
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119377242
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120810050
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
CID 60725134
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 86823045) is 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)N1CCC(N(C)C)CC1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is IBMGIQQLAWEABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3/c1-17(2)11-6-8-19(9-7-11)14(20)10-18(3)15(21)12-4-5-13(16)22-12/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 86823045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).