2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide

C16H23BrN2O2 — CID 120577698

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CCCNC2C)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-10-6-7-15(13(17)9-10)21-12(3)16(20)19-14-5-4-8-18-11(14)2/h6-7,9,11-12,14,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyONAMURAMGGQHMX-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120577698) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120577698
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CCCNC2C)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-10-6-7-15(13(17)9-10)21-12(3)16(20)19-14-5-4-8-18-11(14)2/h6-7,9,11-12,14,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyONAMURAMGGQHMX-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 120574805
2-(2-bromo-4-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120555471
2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510639
2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577629
2-(3-fluorophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576605
2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42990445
2-(2-bromo-4-methylphenoxy)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 136521511
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
CID 120573474
2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide
CID 120576393

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide (CID 120577698) is 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide is Cc1ccc(OC(C)C(=O)NC2CCCNC2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is ONAMURAMGGQHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-10-6-7-15(13(17)9-10)21-12(3)16(20)19-14-5-4-8-18-11(14)2/h6-7,9,11-12,14,18H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 355.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120577698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).