4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide

C17H22N4O2 — CID 84557053

IUPAC4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
SMILESCN1CCN(NC(=O)CCC(=O)n2ccc3ccccc32)CC1
InChIInChI=1S/C17H22N4O2/c1-19-10-12-20(13-11-19)18-16(22)6-7-17(23)21-9-8-14-4-2-3-5-15(14)21/h2-5,8-9H,6-7,10-13H2,1H3,(H,18,22)
InChIKeyLKBCHLAOZUWHQK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.34
Rot. Bonds4

About 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide

4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide (PubChem CID 84557053) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
PubChem CID84557053
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
SMILESCN1CCN(NC(=O)CCC(=O)n2ccc3ccccc32)CC1
InChIInChI=1S/C17H22N4O2/c1-19-10-12-20(13-11-19)18-16(22)6-7-17(23)21-9-8-14-4-2-3-5-15(14)21/h2-5,8-9H,6-7,10-13H2,1H3,(H,18,22)
InChIKeyLKBCHLAOZUWHQK-UHFFFAOYSA-N
XLogP1.34
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
CID 84561267
4-indol-1-yl-4-oxobutanamide
CID 84553197
4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 84557544
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-indol-1-ylbutane-1,4-dione
CID 84553706
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
CID 84551886
4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 84553216
2-[(4-indol-1-yl-4-oxobutanoyl)amino]pentanoic acid
CID 84556826
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
CID 84553059
1-indol-1-yloctadecan-1-one
CID 58661273

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide?
The IUPAC name of 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide (CID 84557053) is 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide.
What is the SMILES notation for 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide?
The canonical SMILES for 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide is CN1CCN(NC(=O)CCC(=O)n2ccc3ccccc32)CC1.
What is the InChIKey of 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide?
The InChIKey is LKBCHLAOZUWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-19-10-12-20(13-11-19)18-16(22)6-7-17(23)21-9-8-14-4-2-3-5-15(14)21/h2-5,8-9H,6-7,10-13H2,1H3,(H,18,22).
What are the key properties of 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide?
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide has a molecular weight of 314.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 84557053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).