2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride

C15H22BrClN2O2 — CID 120577760

IUPAC2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCOc1ccc(Br)cc1CC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10-13(4-3-7-17-10)18-15(19)9-11-8-12(16)5-6-14(11)20-2;/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3,(H,18,19);1H
InChIKeyXQCXCMXQRWJLJF-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.68
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride

2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (PubChem CID 120577760) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
PubChem CID120577760
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCOc1ccc(Br)cc1CC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10-13(4-3-7-17-10)18-15(19)9-11-8-12(16)5-6-14(11)20-2;/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3,(H,18,19);1H
InChIKeyXQCXCMXQRWJLJF-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547520
2-(5-bromo-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387893
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
CID 120573474
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (CID 120577760) is 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride is COc1ccc(Br)cc1CC(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The InChIKey is XQCXCMXQRWJLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-10-13(4-3-7-17-10)18-15(19)9-11-8-12(16)5-6-14(11)20-2;/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120577760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).