2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C17H25BrN2O2 — CID 25236767

IUPAC2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H25BrN2O2/c1-12(2)20-10-8-14(9-11-20)19-17(21)13(3)22-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)
InChIKeyDBUTWGNWNRQZSE-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide

2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 25236767) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID25236767
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H25BrN2O2/c1-12(2)20-10-8-14(9-11-20)19-17(21)13(3)22-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)
InChIKeyDBUTWGNWNRQZSE-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 111118280
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
CID 119611217
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111118289
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 25236767) is 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(Oc1ccccc1Br)C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is DBUTWGNWNRQZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-12(2)20-10-8-14(9-11-20)19-17(21)13(3)22-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 369.30 g/mol, XLogP of 3.21, 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-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 25236767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).