2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide

C15H21BrN2O2 — CID 120553673

IUPAC2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC1CCNCC1C
InChIInChI=1S/C15H21BrN2O2/c1-10-9-17-8-7-14(10)18-15(19)11(2)20-13-5-3-12(16)4-6-13/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyBZSGLVDHTQCSPK-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide

2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120553673) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120553673
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NC1CCNCC1C
InChIInChI=1S/C15H21BrN2O2/c1-10-9-17-8-7-14(10)18-15(19)11(2)20-13-5-3-12(16)4-6-13/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyBZSGLVDHTQCSPK-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120555471
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
2-phenoxy-N-(3-phenylpiperidin-4-yl)propanamide
CID 69335454
N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120554482
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
CID 120553227
N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
CID 119612248
(2R)-2-(4-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1293555
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide
CID 120556674
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
CID 7754794
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120557308
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556673

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide (CID 120553673) is 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NC1CCNCC1C.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is BZSGLVDHTQCSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-9-17-8-7-14(10)18-15(19)11(2)20-13-5-3-12(16)4-6-13/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 341.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120553673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).