1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C21H28N4O4S — CID 91955673

IUPAC1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2CCC(=O)N2Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H28N4O4S/c1-2-13-30(28,29)24-11-9-23(10-12-24)21(27)19-7-8-20(26)25(19)15-16-14-22-18-6-4-3-5-17(16)18/h3-6,14,19,22H,2,7-13,15H2,1H3
InChIKeyZDGZRFCWWQIRBH-UHFFFAOYSA-N
MW432.55 g/mol
LogP1.54
Rot. Bonds6

About 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 91955673) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID91955673
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2CCC(=O)N2Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H28N4O4S/c1-2-13-30(28,29)24-11-9-23(10-12-24)21(27)19-7-8-20(26)25(19)15-16-14-22-18-6-4-3-5-17(16)18/h3-6,14,19,22H,2,7-13,15H2,1H3
InChIKeyZDGZRFCWWQIRBH-UHFFFAOYSA-N
XLogP1.54
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301
5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one
CID 91955548
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596
1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide
CID 91955679
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
N-(1,3-benzothiazol-2-yl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955809

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 91955673) is 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCS(=O)(=O)N1CCN(C(=O)C2CCC(=O)N2Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ZDGZRFCWWQIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-2-13-30(28,29)24-11-9-23(10-12-24)21(27)19-7-8-20(26)25(19)15-16-14-22-18-6-4-3-5-17(16)18/h3-6,14,19,22H,2,7-13,15H2,1H3.
What are the key properties of 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 432.55 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 91955673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).