1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone

C15H19N3O2 — CID 60893291

IUPAC1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C15H19N3O2/c1-11(19)17-6-8-18(9-7-17)15(20)13-2-3-14-12(10-13)4-5-16-14/h2-3,10,16H,4-9H2,1H3
InChIKeyAMQDSDDIURBUIM-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds1

About 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone

1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 60893291) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID60893291
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C15H19N3O2/c1-11(19)17-6-8-18(9-7-17)15(20)13-2-3-14-12(10-13)4-5-16-14/h2-3,10,16H,4-9H2,1H3
InChIKeyAMQDSDDIURBUIM-UHFFFAOYSA-N
XLogP0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
2,3-dihydro-1H-indol-5-yl-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63217542
2,3-dihydro-1H-indol-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63166948
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
2,3-dihydro-1H-indol-5-yl-(2,6-dimethylpiperidin-1-yl)methanone
CID 43142508
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 62973285
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 138057318

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone (CID 60893291) is 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is AMQDSDDIURBUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(19)17-6-8-18(9-7-17)15(20)13-2-3-14-12(10-13)4-5-16-14/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 273.34 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60893291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).