N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride

C17H25BrClN3O3 — CID 119684871

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CCNCC1.Cl
InChIInChI=1S/C17H24BrN3O3.ClH/c1-12-10-13(18)4-5-14(12)20-15(22)11-21(2)16(23)17(24-3)6-8-19-9-7-17;/h4-5,10,19H,6-9,11H2,1-3H3,(H,20,22);1H
InChIKeyDUVXGFNVULQNRV-UHFFFAOYSA-N
MW434.76 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119684871) has the molecular formula C17H25BrClN3O3 and a molecular weight of 434.76 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119684871
Molecular FormulaC17H25BrClN3O3
Molecular Weight434.76 g/mol
Exact Mass433.08
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CCNCC1.Cl
InChIInChI=1S/C17H24BrN3O3.ClH/c1-12-10-13(18)4-5-14(12)20-15(22)11-21(2)16(23)17(24-3)6-8-19-9-7-17;/h4-5,10,19H,6-9,11H2,1-3H3,(H,20,22);1H
InChIKeyDUVXGFNVULQNRV-UHFFFAOYSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.76
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 119684846
N-(4-bromo-2-methylphenyl)-2-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetamide;hydrochloride
CID 120902488
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119684877
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119684849
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
4-methoxy-N-(4-methoxy-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119709494
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119688975
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119684867

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119684871) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride is COC1(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CCNCC1.Cl.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DUVXGFNVULQNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3.ClH/c1-12-10-13(18)4-5-14(12)20-15(22)11-21(2)16(23)17(24-3)6-8-19-9-7-17;/h4-5,10,19H,6-9,11H2,1-3H3,(H,20,22);1H.
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 434.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119684871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).