4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one

C21H28N4O2 — CID 56911441

IUPAC4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(C1CNCCN1C(=O)CCCc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C21H28N4O2/c26-20(9-5-6-16-14-23-18-8-2-1-7-17(16)18)25-13-10-22-15-19(25)21(27)24-11-3-4-12-24/h1-2,7-8,14,19,22-23H,3-6,9-13,15H2
InChIKeyJLNWNBFJIRUPMZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.91
Rot. Bonds5

About 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one

4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 56911441) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID56911441
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(C1CNCCN1C(=O)CCCc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C21H28N4O2/c26-20(9-5-6-16-14-23-18-8-2-1-7-17(16)18)25-13-10-22-15-19(25)21(27)24-11-3-4-12-24/h1-2,7-8,14,19,22-23H,3-6,9-13,15H2
InChIKeyJLNWNBFJIRUPMZ-UHFFFAOYSA-N
XLogP1.91
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
CID 124942544
4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
CID 110086516
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086524
4-(1H-indol-3-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butan-1-one
CID 8010073

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one (CID 56911441) is 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one is O=C(C1CNCCN1C(=O)CCCc1c[nH]c2ccccc12)N1CCCC1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is JLNWNBFJIRUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(9-5-6-16-14-23-18-8-2-1-7-17(16)18)25-13-10-22-15-19(25)21(27)24-11-3-4-12-24/h1-2,7-8,14,19,22-23H,3-6,9-13,15H2.
What are the key properties of 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one?
4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 368.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 56911441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).