4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride

C16H24BrClN2O2 — CID 120573474

IUPAC4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
SMILESCC(C)Oc1cc(Br)ccc1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-10(2)21-15-9-12(17)6-7-13(15)16(20)19-14-5-4-8-18-11(14)3;/h6-7,9-11,14,18H,4-5,8H2,1-3H3,(H,19,20);1H
InChIKeyRAZZPSCWWQGYPS-UHFFFAOYSA-N
MW391.74 g/mol
LogP3.53
Rot. Bonds4

About 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride

4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride (PubChem CID 120573474) has the molecular formula C16H24BrClN2O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
PubChem CID120573474
Molecular FormulaC16H24BrClN2O2
Molecular Weight391.74 g/mol
Exact Mass390.07
IUPAC Name4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
SMILESCC(C)Oc1cc(Br)ccc1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-10(2)21-15-9-12(17)6-7-13(15)16(20)19-14-5-4-8-18-11(14)3;/h6-7,9-11,14,18H,4-5,8H2,1-3H3,(H,19,20);1H
InChIKeyRAZZPSCWWQGYPS-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
CID 120574506
2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577629
2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120577760
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
CID 119555844
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 120574067
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride (CID 120573474) is 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride is CC(C)Oc1cc(Br)ccc1C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is RAZZPSCWWQGYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2.ClH/c1-10(2)21-15-9-12(17)6-7-13(15)16(20)19-14-5-4-8-18-11(14)3;/h6-7,9-11,14,18H,4-5,8H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride?
4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 391.74 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 120573474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).