2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide

C17H23BrN2O3 — CID 110280483

IUPAC2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)Oc1ccccc1Br)C(=O)N1CCCCC1
InChIInChI=1S/C17H23BrN2O3/c1-12(17(22)20-10-6-3-7-11-20)19-16(21)13(2)23-15-9-5-4-8-14(15)18/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyXBNKWMHEDJLXAY-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide

2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide (PubChem CID 110280483) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
PubChem CID110280483
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Name2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)Oc1ccccc1Br)C(=O)N1CCCCC1
InChIInChI=1S/C17H23BrN2O3/c1-12(17(22)20-10-6-3-7-11-20)19-16(21)13(2)23-15-9-5-4-8-14(15)18/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyXBNKWMHEDJLXAY-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
(2R)-2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119368498
2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119170475
2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111118289
3-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119221619
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481152
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide (CID 110280483) is 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide is CC(NC(=O)C(C)Oc1ccccc1Br)C(=O)N1CCCCC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
The InChIKey is XBNKWMHEDJLXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-12(17(22)20-10-6-3-7-11-20)19-16(21)13(2)23-15-9-5-4-8-14(15)18/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide?
2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide has a molecular weight of 383.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 110280483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).