(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione

C28H27FN2O3 — CID 1282118

IUPAC(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C28H27FN2O3/c29-23-11-13-24(14-12-23)31-26(32)19-25(27(31)33)30-17-15-22(16-18-30)28(34,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,25,34H,15-19H2/t25-/m0/s1
InChIKeyZGKYPAUKBWJUSO-VWLOTQADSA-N
MW458.53 g/mol
LogP4.11
Rot. Bonds5

About (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 1282118) has the molecular formula C28H27FN2O3 and a molecular weight of 458.53 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID1282118
Molecular FormulaC28H27FN2O3
Molecular Weight458.53 g/mol
Exact Mass458.20
IUPAC Name(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C28H27FN2O3/c29-23-11-13-24(14-12-23)31-26(32)19-25(27(31)33)30-17-15-22(16-18-30)28(34,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,25,34H,15-19H2/t25-/m0/s1
InChIKeyZGKYPAUKBWJUSO-VWLOTQADSA-N
XLogP4.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282119
1-(4-bromophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 5172400
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 692158
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 17020092
1-[(3R)-1-(4-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 871176
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 41002477
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione (CID 1282118) is (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is ZGKYPAUKBWJUSO-VWLOTQADSA-N. The full InChI is InChI=1S/C28H27FN2O3/c29-23-11-13-24(14-12-23)31-26(32)19-25(27(31)33)30-17-15-22(16-18-30)28(34,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,22,25,34H,15-19H2/t25-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 458.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1282118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).