3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide

C21H25BrN2O2 — CID 22118989

IUPAC3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C2(c3ccc(Br)cc3)CCN(CCC(N)=O)CC2)cc1
InChIInChI=1S/C21H25BrN2O2/c1-26-19-8-4-17(5-9-19)21(16-2-6-18(22)7-3-16)11-14-24(15-12-21)13-10-20(23)25/h2-9H,10-15H2,1H3,(H2,23,25)
InChIKeyKGNSVCYMOKJFGV-UHFFFAOYSA-N
MW417.35 g/mol
LogP3.71
Rot. Bonds6

About 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide

3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide (PubChem CID 22118989) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide
PubChem CID22118989
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C2(c3ccc(Br)cc3)CCN(CCC(N)=O)CC2)cc1
InChIInChI=1S/C21H25BrN2O2/c1-26-19-8-4-17(5-9-19)21(16-2-6-18(22)7-3-16)11-14-24(15-12-21)13-10-20(23)25/h2-9H,10-15H2,1H3,(H2,23,25)
InChIKeyKGNSVCYMOKJFGV-UHFFFAOYSA-N
XLogP3.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide?
The IUPAC name of 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide (CID 22118989) is 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide?
The canonical SMILES for 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide is COc1ccc(C2(c3ccc(Br)cc3)CCN(CCC(N)=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide?
The InChIKey is KGNSVCYMOKJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-26-19-8-4-17(5-9-19)21(16-2-6-18(22)7-3-16)11-14-24(15-12-21)13-10-20(23)25/h2-9H,10-15H2,1H3,(H2,23,25).
What are the key properties of 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide?
3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide has a molecular weight of 417.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 22118989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).