(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

C32H29FN4O2 — CID 97034478

IUPAC(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C32H29FN4O2/c33-22-6-5-7-23(17-22)37-20-21(16-30(37)38)31(39)36-14-12-32(13-15-36,26-18-34-28-10-3-1-8-24(26)28)27-19-35-29-11-4-2-9-25(27)29/h1-11,17-19,21,34-35H,12-16,20H2/t21-/m1/s1
InChIKeyXITCVZCNOQBUAA-OAQYLSRUSA-N
MW520.61 g/mol
LogP5.75
Rot. Bonds4

About (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 97034478) has the molecular formula C32H29FN4O2 and a molecular weight of 520.61 g/mol. Its IUPAC name is (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID97034478
Molecular FormulaC32H29FN4O2
Molecular Weight520.61 g/mol
Exact Mass520.23
IUPAC Name(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C32H29FN4O2/c33-22-6-5-7-23(17-22)37-20-21(16-30(37)38)31(39)36-14-12-32(13-15-36,26-18-34-28-10-3-1-8-24(26)28)27-19-35-29-11-4-2-9-25(27)29/h1-11,17-19,21,34-35H,12-16,20H2/t21-/m1/s1
InChIKeyXITCVZCNOQBUAA-OAQYLSRUSA-N
XLogP5.75
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 98397090
(4S)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 98206029
4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 71694858
(4S)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 98397073
(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 98397070
4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 71694836
(4S)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97034453
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 113190158
(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 97034511
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
ethyl (3S)-1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93017526

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (CID 97034478) is (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is XITCVZCNOQBUAA-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H29FN4O2/c33-22-6-5-7-23(17-22)37-20-21(16-30(37)38)31(39)36-14-12-32(13-15-36,26-18-34-28-10-3-1-8-24(26)28)27-19-35-29-11-4-2-9-25(27)29/h1-11,17-19,21,34-35H,12-16,20H2/t21-/m1/s1.
What are the key properties of (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 520.61 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 97034478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).