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

C16H25BrClN3O3 — CID 119644278

IUPAC5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1.Cl
InChIInChI=1S/C16H24BrN3O3.ClH/c1-3-18-10-12-6-8-20(9-7-12)15(21)11-19(2)16(22)13-4-5-14(17)23-13;/h4-5,12,18H,3,6-11H2,1-2H3;1H
InChIKeyCVCMBTSOYRAJFY-UHFFFAOYSA-N
MW422.75 g/mol
LogP2.38
Rot. Bonds6

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

5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119644278) has the molecular formula C16H25BrClN3O3 and a molecular weight of 422.75 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID119644278
Molecular FormulaC16H25BrClN3O3
Molecular Weight422.75 g/mol
Exact Mass421.08
IUPAC Name5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1.Cl
InChIInChI=1S/C16H24BrN3O3.ClH/c1-3-18-10-12-6-8-20(9-7-12)15(21)11-19(2)16(22)13-4-5-14(17)23-13;/h4-5,12,18H,3,6-11H2,1-2H3;1H
InChIKeyCVCMBTSOYRAJFY-UHFFFAOYSA-N
XLogP2.38
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride with MolForge

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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-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 86823045
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119483359
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119409324
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119377242
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120810050
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119646554
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride (CID 119644278) is 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride is CCNCC1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1.Cl.
What is the InChIKey of 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is CVCMBTSOYRAJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O3.ClH/c1-3-18-10-12-6-8-20(9-7-12)15(21)11-19(2)16(22)13-4-5-14(17)23-13;/h4-5,12,18H,3,6-11H2,1-2H3;1H.
What are the key properties of 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride?
5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 422.75 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119644278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).