3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

C24H24ClF3N2O2 — CID 44581088

IUPAC3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)C(=O)N1
InChIInChI=1S/C24H24ClF3N2O2/c25-20-7-6-16(14-19(20)24(26,27)28)15-30-12-9-18(10-13-30)23(17-4-2-1-3-5-17)11-8-21(31)29-22(23)32/h1-7,14,18H,8-13,15H2,(H,29,31,32)
InChIKeyPKJUWTJQBGFMOT-UHFFFAOYSA-N
MW464.92 g/mol
LogP4.95
Rot. Bonds4

About 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione (PubChem CID 44581088) has the molecular formula C24H24ClF3N2O2 and a molecular weight of 464.92 g/mol. Its IUPAC name is 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
PubChem CID44581088
Molecular FormulaC24H24ClF3N2O2
Molecular Weight464.92 g/mol
Exact Mass464.15
IUPAC Name3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)C(=O)N1
InChIInChI=1S/C24H24ClF3N2O2/c25-20-7-6-16(14-19(20)24(26,27)28)15-30-12-9-18(10-13-30)23(17-4-2-1-3-5-17)11-8-21(31)29-22(23)32/h1-7,14,18H,8-13,15H2,(H,29,31,32)
InChIKeyPKJUWTJQBGFMOT-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 54.95
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-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 14479853
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(3-chlorophenyl)piperidine-2,6-dione
CID 44581136
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 75439271
2-[[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043079
(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
CID 24774710
3-(1-benzylpiperidin-1-ium-4-yl)-3-phenylpiperidine-2,6-dione chloride
CID 44660607
3-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]-N-(3-hydroxypropyl)benzamide
CID 44581162
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-[3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]piperazine
CID 14097041
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119034117
1-[8-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449081
2-(2,4-dioxo-1,3-diazinan-1-yl)-5-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]isoindole-1,3-dione
CID 172611125
(4S,9R)-11-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-propan-2-yl-2-oxa-5,11-diazatricyclo[7.4.1.05,14]tetradecan-6-one
CID 170446312

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The IUPAC name of 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione (CID 44581088) is 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione is O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)C(=O)N1.
What is the InChIKey of 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
The InChIKey is PKJUWTJQBGFMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N2O2/c25-20-7-6-16(14-19(20)24(26,27)28)15-30-12-9-18(10-13-30)23(17-4-2-1-3-5-17)11-8-21(31)29-22(23)32/h1-7,14,18H,8-13,15H2,(H,29,31,32).
What are the key properties of 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione?
3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione has a molecular weight of 464.92 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 44581088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).