4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride

C17H26BrClN2O2 — CID 119555844

IUPAC4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
SMILESCC(C)Oc1cc(Br)ccc1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-12(2)22-16-10-14(18)5-6-15(16)17(21)20-9-7-13-4-3-8-19-11-13;/h5-6,10,12-13,19H,3-4,7-9,11H2,1-2H3,(H,20,21);1H
InChIKeyZIEHDRWHOKITLQ-UHFFFAOYSA-N
MW405.76 g/mol
LogP3.78
Rot. Bonds6

About 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride

4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride (PubChem CID 119555844) has the molecular formula C17H26BrClN2O2 and a molecular weight of 405.76 g/mol. Its IUPAC name is 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
PubChem CID119555844
Molecular FormulaC17H26BrClN2O2
Molecular Weight405.76 g/mol
Exact Mass404.09
IUPAC Name4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
SMILESCC(C)Oc1cc(Br)ccc1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-12(2)22-16-10-14(18)5-6-15(16)17(21)20-9-7-13-4-3-8-19-11-13;/h5-6,10,12-13,19H,3-4,7-9,11H2,1-2H3,(H,20,21);1H
InChIKeyZIEHDRWHOKITLQ-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.76
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
CID 111433738
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
CID 119556038
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556141
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119559291
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride (CID 119555844) is 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride is CC(C)Oc1cc(Br)ccc1C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is ZIEHDRWHOKITLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2.ClH/c1-12(2)22-16-10-14(18)5-6-15(16)17(21)20-9-7-13-4-3-8-19-11-13;/h5-6,10,12-13,19H,3-4,7-9,11H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride?
4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 405.76 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 119555844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).