N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

C15H21BrClN3O2 — CID 119311546

IUPACN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-10-4-5-12(16)7-13(10)19-14(20)9-18-15(21)11-3-2-6-17-8-11;/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyWCVZDTMAPYHIEU-UHFFFAOYSA-N
MW390.71 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119311546) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119311546
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC NameN-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-10-4-5-12(16)7-13(10)19-14(20)9-18-15(21)11-3-2-6-17-8-11;/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyWCVZDTMAPYHIEU-UHFFFAOYSA-N
XLogP2.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide
CID 120629339
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
(2S,4S)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629529
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123823

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (CID 119311546) is N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(Br)cc1NC(=O)CNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WCVZDTMAPYHIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c1-10-4-5-12(16)7-13(10)19-14(20)9-18-15(21)11-3-2-6-17-8-11;/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119311546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).