2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide

C17H25BrN2O2 — CID 17250209

IUPAC2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)C(C)Oc2cccc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2O2/c1-3-9-20-10-7-15(8-11-20)19-17(21)13(2)22-16-6-4-5-14(18)12-16/h4-6,12-13,15H,3,7-11H2,1-2H3,(H,19,21)
InChIKeyAELSVKDOORMOPN-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.21
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide

2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 17250209) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID17250209
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)C(C)Oc2cccc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2O2/c1-3-9-20-10-7-15(8-11-20)19-17(21)13(2)22-16-6-4-5-14(18)12-16/h4-6,12-13,15H,3,7-11H2,1-2H3,(H,19,21)
InChIKeyAELSVKDOORMOPN-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17249842
(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide
CID 95156509
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide (CID 17250209) is 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)C(C)Oc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is AELSVKDOORMOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-3-9-20-10-7-15(8-11-20)19-17(21)13(2)22-16-6-4-5-14(18)12-16/h4-6,12-13,15H,3,7-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 369.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 17250209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).