1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide

C17H22N4O2 — CID 155982994

IUPAC1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N4O2/c18-17(23)15-11-19-8-9-21(15)16(22)7-3-4-12-10-20-14-6-2-1-5-13(12)14/h1-2,5-6,10,15,19-20H,3-4,7-9,11H2,(H2,18,23)
InChIKeyVKBLFRSEGOZSJS-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.78
Rot. Bonds5

About 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide

1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide (PubChem CID 155982994) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
PubChem CID155982994
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N4O2/c18-17(23)15-11-19-8-9-21(15)16(22)7-3-4-12-10-20-14-6-2-1-5-13(12)14/h1-2,5-6,10,15,19-20H,3-4,7-9,11H2,(H2,18,23)
InChIKeyVKBLFRSEGOZSJS-UHFFFAOYSA-N
XLogP0.78
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 56911441
(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
CID 124942544
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
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
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
CID 110086516
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391117

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide?
The IUPAC name of 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide (CID 155982994) is 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide is NC(=O)C1CNCCN1C(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide?
The InChIKey is VKBLFRSEGOZSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-17(23)15-11-19-8-9-21(15)16(22)7-3-4-12-10-20-14-6-2-1-5-13(12)14/h1-2,5-6,10,15,19-20H,3-4,7-9,11H2,(H2,18,23).
What are the key properties of 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide?
1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 155982994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).