1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one

C24H28N4O — CID 11646767

IUPAC1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc3[nH]c(CN4CCCC4)cc3c2)CCN1c1ccccc1
InChIInChI=1S/C24H28N4O/c29-24-18-27(12-13-28(24)22-6-2-1-3-7-22)16-19-8-9-23-20(14-19)15-21(25-23)17-26-10-4-5-11-26/h1-3,6-9,14-15,25H,4-5,10-13,16-18H2
InChIKeySBRPGEDBUXPRRT-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.61
Rot. Bonds5

About 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one

1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one (PubChem CID 11646767) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one
PubChem CID11646767
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc3[nH]c(CN4CCCC4)cc3c2)CCN1c1ccccc1
InChIInChI=1S/C24H28N4O/c29-24-18-27(12-13-28(24)22-6-2-1-3-7-22)16-19-8-9-23-20(14-19)15-21(25-23)17-26-10-4-5-11-26/h1-3,6-9,14-15,25H,4-5,10-13,16-18H2
InChIKeySBRPGEDBUXPRRT-UHFFFAOYSA-N
XLogP3.61
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one?
The IUPAC name of 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one (CID 11646767) is 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one is O=C1CN(Cc2ccc3[nH]c(CN4CCCC4)cc3c2)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one?
The InChIKey is SBRPGEDBUXPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24-18-27(12-13-28(24)22-6-2-1-3-7-22)16-19-8-9-23-20(14-19)15-21(25-23)17-26-10-4-5-11-26/h1-3,6-9,14-15,25H,4-5,10-13,16-18H2.
What are the key properties of 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one?
1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one has a molecular weight of 388.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 11646767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).