3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide

C22H24BrFN2O2 — CID 74947211

IUPAC3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
SMILESCC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C22H24BrFN2O2/c1-15(16-2-6-18(23)7-3-16)26-13-12-22(14-21(26)28,11-10-20(25)27)17-4-8-19(24)9-5-17/h2-9,15H,10-14H2,1H3,(H2,25,27)
InChIKeyCJDDEQZHKJACGD-UHFFFAOYSA-N
MW447.35 g/mol
LogP4.48
Rot. Bonds6

About 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide

3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide (PubChem CID 74947211) has the molecular formula C22H24BrFN2O2 and a molecular weight of 447.35 g/mol. Its IUPAC name is 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
PubChem CID74947211
Molecular FormulaC22H24BrFN2O2
Molecular Weight447.35 g/mol
Exact Mass446.10
IUPAC Name3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
SMILESCC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C22H24BrFN2O2/c1-15(16-2-6-18(23)7-3-16)26-13-12-22(14-21(26)28,11-10-20(25)27)17-4-8-19(24)9-5-17/h2-9,15H,10-14H2,1H3,(H2,25,27)
InChIKeyCJDDEQZHKJACGD-UHFFFAOYSA-N
XLogP4.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]propanamide
CID 67104681
3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
CID 67104912
3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
CID 67104915
(4S)-1-[(1R)-1-(4-bromophenyl)propyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one
CID 91354606
3-[(6S)-6-(4-fluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 66856649
(4S)-4-(2-aminoethyl)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)piperidin-2-one
CID 67104520
3-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propylurea
CID 67104508
1-[(1S)-1-(4-bromophenyl)ethyl]-4-(2-hydroxy-2-methylpropyl)-4-phenylpiperidin-2-one
CID 67104614
(6R)-1-[(1S)-1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-6-methylpiperidin-2-one
CID 68735818
1-[(1S)-1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-6-methylpiperidin-2-one
CID 67104502
4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one
CID 67105163
3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanoic acid
CID 58109735

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The IUPAC name of 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide (CID 74947211) is 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide.
What is the SMILES notation for 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The canonical SMILES for 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide is CC(c1ccc(Br)cc1)N1CCC(CCC(N)=O)(c2ccc(F)cc2)CC1=O.
What is the InChIKey of 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The InChIKey is CJDDEQZHKJACGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrFN2O2/c1-15(16-2-6-18(23)7-3-16)26-13-12-22(14-21(26)28,11-10-20(25)27)17-4-8-19(24)9-5-17/h2-9,15H,10-14H2,1H3,(H2,25,27).
What are the key properties of 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide has a molecular weight of 447.35 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-bromophenyl)ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide is sourced from PubChem (CID 74947211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).