2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide

C15H21BrN2O2 — CID 120577629

IUPAC2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NC1CCCNC1C
InChIInChI=1S/C15H21BrN2O2/c1-10-14(7-4-8-17-10)18-15(19)11(2)20-13-6-3-5-12(16)9-13/h3,5-6,9-11,14,17H,4,7-8H2,1-2H3,(H,18,19)
InChIKeyYOKYDCXVMJZOKG-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.47
Rot. Bonds4

About 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide

2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120577629) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120577629
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NC1CCCNC1C
InChIInChI=1S/C15H21BrN2O2/c1-10-14(7-4-8-17-10)18-15(19)11(2)20-13-6-3-5-12(16)9-13/h3,5-6,9-11,14,17H,4,7-8H2,1-2H3,(H,18,19)
InChIKeyYOKYDCXVMJZOKG-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576605
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577698
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
N-(2-methylpiperidin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 120574805
N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 120574067
1-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8770730
4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
CID 120573474
2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide
CID 120576393
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576369
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide (CID 120577629) is 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide is CC(Oc1cccc(Br)c1)C(=O)NC1CCCNC1C.
What is the InChIKey of 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is YOKYDCXVMJZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-14(7-4-8-17-10)18-15(19)11(2)20-13-6-3-5-12(16)9-13/h3,5-6,9-11,14,17H,4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 341.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120577629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).