(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione

C23H23BrF2N2O2 — CID 24774710

IUPAC(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
SMILESO=C1CC[C@@](c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)/t23-/m0/s1
InChIKeyBJFMBQBPMWUGFF-QHCPKHFHSA-N
MW477.35 g/mol
LogP4.31
Rot. Bonds4

About (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione

(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione (PubChem CID 24774710) has the molecular formula C23H23BrF2N2O2 and a molecular weight of 477.35 g/mol. Its IUPAC name is (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
PubChem CID24774710
Molecular FormulaC23H23BrF2N2O2
Molecular Weight477.35 g/mol
Exact Mass476.09
IUPAC Name(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
SMILESO=C1CC[C@@](c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)/t23-/m0/s1
InChIKeyBJFMBQBPMWUGFF-QHCPKHFHSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione
CID 44581136
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 14479853
3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-(3-hydroxypropyl)benzamide
CID 44581162
3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 44581088
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-phenylpiperidine-2,6-dione
CID 44580860
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 174687626
8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022233

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione (CID 24774710) is (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione is O=C1CC[C@@](c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1.
What is the InChIKey of (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione?
The InChIKey is BJFMBQBPMWUGFF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)/t23-/m0/s1.
What are the key properties of (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione?
(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione has a molecular weight of 477.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 24774710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).