2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride

C14H20BrClN2O2 — CID 119389162

IUPAC2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(Oc1cccc(Br)c1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-12-5-7-16-8-6-12;/h2-4,9-10,12,16H,5-8H2,1H3,(H,17,18);1H
InChIKeyPOLXGJGCAISERA-UHFFFAOYSA-N
MW363.68 g/mol
LogP2.51
Rot. Bonds4

About 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride

2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119389162) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119389162
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(Oc1cccc(Br)c1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-12-5-7-16-8-6-12;/h2-4,9-10,12,16H,5-8H2,1H3,(H,17,18);1H
InChIKeyPOLXGJGCAISERA-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119389266
2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577629
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride (CID 119389162) is 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride is CC(Oc1cccc(Br)c1)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is POLXGJGCAISERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-12-5-7-16-8-6-12;/h2-4,9-10,12,16H,5-8H2,1H3,(H,17,18);1H.
What are the key properties of 2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride?
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 2.51, 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-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119389162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).