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

C20H28N4O2 — CID 110086524

IUPAC4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C
InChIInChI=1S/C20H28N4O2/c1-22(2)20(26)18-14-24(12-11-23(18)3)19(25)10-6-7-15-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,13,18,21H,6-7,10-12,14H2,1-3H3
InChIKeyCBTVYJHGFABUSY-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.72
Rot. Bonds5

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

4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide (PubChem CID 110086524) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
PubChem CID110086524
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C
InChIInChI=1S/C20H28N4O2/c1-22(2)20(26)18-14-24(12-11-23(18)3)19(25)10-6-7-15-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,13,18,21H,6-7,10-12,14H2,1-3H3
InChIKeyCBTVYJHGFABUSY-UHFFFAOYSA-N
XLogP1.72
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
CID 110086516
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 124992020
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
CID 124942544
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 56911441
(1R,5S)-3-[4-(1H-indol-3-yl)butanoyl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133120396

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide?
The IUPAC name of 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide (CID 110086524) is 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide is CN(C)C(=O)C1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C.
What is the InChIKey of 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide?
The InChIKey is CBTVYJHGFABUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22(2)20(26)18-14-24(12-11-23(18)3)19(25)10-6-7-15-13-21-17-9-5-4-8-16(15)17/h4-5,8-9,13,18,21H,6-7,10-12,14H2,1-3H3.
What are the key properties of 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide?
4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).