1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone

C16H21N3O2 — CID 82537881

IUPAC1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C16H21N3O2/c1-12(20)17-7-9-18(10-8-17)15-3-4-16-14(11-15)5-6-19(16)13(2)21/h3-4,11H,5-10H2,1-2H3
InChIKeyLYUZCEFXXOWJKN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.26
Rot. Bonds1

About 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone

1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone (PubChem CID 82537881) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
PubChem CID82537881
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C16H21N3O2/c1-12(20)17-7-9-18(10-8-17)15-3-4-16-14(11-15)5-6-19(16)13(2)21/h3-4,11H,5-10H2,1-2H3
InChIKeyLYUZCEFXXOWJKN-UHFFFAOYSA-N
XLogP1.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1-[5-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 53109962
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid
CID 82537981
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone
CID 4547632
1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
CID 141146332
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
CID 145441295
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-[5-(4-benzylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone;1-(6-piperazin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 161177802

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone (CID 82537881) is 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3c(c2)CCN3C(C)=O)CC1.
What is the InChIKey of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is LYUZCEFXXOWJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(20)17-7-9-18(10-8-17)15-3-4-16-14(11-15)5-6-19(16)13(2)21/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone?
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 287.36 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82537881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).