2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide

C16H20N4O2 — CID 86822734

IUPAC2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1
InChIInChI=1S/C16H20N4O2/c17-15(21)11-18-7-9-19(10-8-18)16(22)12-20-6-5-13-3-1-2-4-14(13)20/h1-6H,7-12H2,(H2,17,21)
InChIKeyVURINTOVMKWRJX-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.27
Rot. Bonds4

About 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide

2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 86822734) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
PubChem CID86822734
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1
InChIInChI=1S/C16H20N4O2/c17-15(21)11-18-7-9-19(10-8-18)16(22)12-20-6-5-13-3-1-2-4-14(13)20/h1-6H,7-12H2,(H2,17,21)
InChIKeyVURINTOVMKWRJX-UHFFFAOYSA-N
XLogP0.27
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 87040579
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344
2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958441
2-indol-1-yl-1-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958440
1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-indol-1-ylethanone
CID 7316989
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide (CID 86822734) is 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1.
What is the InChIKey of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide?
The InChIKey is VURINTOVMKWRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15(21)11-18-7-9-19(10-8-18)16(22)12-20-6-5-13-3-1-2-4-14(13)20/h1-6H,7-12H2,(H2,17,21).
What are the key properties of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide?
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86822734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).