4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide

C21H28N4O3 — CID 110086516

IUPAC4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)C(C(=O)N(C)C)C1
InChIInChI=1S/C21H28N4O3/c1-15(26)24-11-12-25(19(14-24)21(28)23(2)3)20(27)10-6-7-16-13-22-18-9-5-4-8-17(16)18/h4-5,8-9,13,19,22H,6-7,10-12,14H2,1-3H3
InChIKeyGKJMDOGXFYPKMY-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.64
Rot. Bonds5

About 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide

4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 110086516) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID110086516
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)C(C(=O)N(C)C)C1
InChIInChI=1S/C21H28N4O3/c1-15(26)24-11-12-25(19(14-24)21(28)23(2)3)20(27)10-6-7-16-13-22-18-9-5-4-8-17(16)18/h4-5,8-9,13,19,22H,6-7,10-12,14H2,1-3H3
InChIKeyGKJMDOGXFYPKMY-UHFFFAOYSA-N
XLogP1.64
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide with MolForge

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Related Compounds

4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086524
(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
CID 124942544
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
(2R,3S)-4-[4-(1H-indol-3-yl)butanoyl]-N,N,2,3-tetramethylpiperazine-1-sulfonamide
CID 169416860
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994
4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 56911441
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 163318056
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide (CID 110086516) is 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide is CC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)C(C(=O)N(C)C)C1.
What is the InChIKey of 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is GKJMDOGXFYPKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(26)24-11-12-25(19(14-24)21(28)23(2)3)20(27)10-6-7-16-13-22-18-9-5-4-8-17(16)18/h4-5,8-9,13,19,22H,6-7,10-12,14H2,1-3H3.
What are the key properties of 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide?
4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).