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

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[4-hydroxy-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide
CID 174464839
4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine
CID 172840002
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 91842375
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
CID 109028531
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 30750718
methyl 5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 10841190
[(1-amino-3-piperidin-1-ylpropylidene)amino] (4-bromophenyl) carbonate
CID 134693418
3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115304874

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).