N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H23BrClN3O3 — CID 119764561

IUPACN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)CCNCC1.Cl
InChIInChI=1S/C16H22BrN3O3.ClH/c1-11-9-12(3-4-13(11)17)20-14(21)10-19-15(22)16(23-2)5-7-18-8-6-16;/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyJPVWSLJFVGWRFJ-UHFFFAOYSA-N
MW420.74 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119764561) has the molecular formula C16H23BrClN3O3 and a molecular weight of 420.74 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119764561
Molecular FormulaC16H23BrClN3O3
Molecular Weight420.74 g/mol
Exact Mass419.06
IUPAC NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)CCNCC1.Cl
InChIInChI=1S/C16H22BrN3O3.ClH/c1-11-9-12(3-4-13(11)17)20-14(21)10-19-15(22)16(23-2)5-7-18-8-6-16;/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyJPVWSLJFVGWRFJ-UHFFFAOYSA-N
XLogP2.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.74
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119739146
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120625334
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
(2S,4S)-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629586
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119312487

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119764561) is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCC(=O)Nc2ccc(Br)c(C)c2)CCNCC1.Cl.
What is the InChIKey of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is JPVWSLJFVGWRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3.ClH/c1-11-9-12(3-4-13(11)17)20-14(21)10-19-15(22)16(23-2)5-7-18-8-6-16;/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 420.74 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119764561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).