5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one

C25H27FN4O2 — CID 91955548

IUPAC5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C25H27FN4O2/c26-20-5-3-4-18(14-20)16-28-10-12-29(13-11-28)25(32)23-8-9-24(31)30(23)17-19-15-27-22-7-2-1-6-21(19)22/h1-7,14-15,23,27H,8-13,16-17H2
InChIKeyVQHLOFRHEAOYER-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.14
Rot. Bonds5

About 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one

5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one (PubChem CID 91955548) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one
PubChem CID91955548
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C25H27FN4O2/c26-20-5-3-4-18(14-20)16-28-10-12-29(13-11-28)25(32)23-8-9-24(31)30(23)17-19-15-27-22-7-2-1-6-21(19)22/h1-7,14-15,23,27H,8-13,16-17H2
InChIKeyVQHLOFRHEAOYER-UHFFFAOYSA-N
XLogP3.14
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one (CID 91955548) is 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is VQHLOFRHEAOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-20-5-3-4-18(14-20)16-28-10-12-29(13-11-28)25(32)23-8-9-24(31)30(23)17-19-15-27-22-7-2-1-6-21(19)22/h1-7,14-15,23,27H,8-13,16-17H2.
What are the key properties of 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one?
5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 434.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91955548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).