1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one

C17H19N3O2 — CID 110743361

IUPAC1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H19N3O2/c21-16(9-12-10-18-15-4-2-1-3-14(12)15)19-7-8-20(13-5-6-13)17(22)11-19/h1-4,10,13,18H,5-9,11H2
InChIKeyRCCPJUMJQHBPHC-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.54
Rot. Bonds3

About 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one

1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one (PubChem CID 110743361) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
PubChem CID110743361
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H19N3O2/c21-16(9-12-10-18-15-4-2-1-3-14(12)15)19-7-8-20(13-5-6-13)17(22)11-19/h1-4,10,13,18H,5-9,11H2
InChIKeyRCCPJUMJQHBPHC-UHFFFAOYSA-N
XLogP1.54
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
(6S)-1-cyclohexyl-4-[2-(1H-indol-3-yl)acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26134582
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
1-[2-(1H-indol-3-yl)acetyl]-4-phenyl-1,4-diazepan-5-one
CID 110867163

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one (CID 110743361) is 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one is O=C(Cc1c[nH]c2ccccc12)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
The InChIKey is RCCPJUMJQHBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(9-12-10-18-15-4-2-1-3-14(12)15)19-7-8-20(13-5-6-13)17(22)11-19/h1-4,10,13,18H,5-9,11H2.
What are the key properties of 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 110743361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).