1H-indol-2-yl(piperazin-1-yl)methanone

C13H15N3O — CID 921599

IUPAC1H-indol-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2
InChIKeyFIVCRRVYLAXYFC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.21
Rot. Bonds1

About 1H-indol-2-yl(piperazin-1-yl)methanone

1H-indol-2-yl(piperazin-1-yl)methanone (PubChem CID 921599) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1H-indol-2-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl(piperazin-1-yl)methanone
PubChem CID921599
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1H-indol-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2
InChIKeyFIVCRRVYLAXYFC-UHFFFAOYSA-N
XLogP1.21
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl(piperazin-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl(piperazin-1-yl)methanone (CID 921599) is 1H-indol-2-yl(piperazin-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl(piperazin-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl(piperazin-1-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCNCC1.
What is the InChIKey of 1H-indol-2-yl(piperazin-1-yl)methanone?
The InChIKey is FIVCRRVYLAXYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2.
What are the key properties of 1H-indol-2-yl(piperazin-1-yl)methanone?
1H-indol-2-yl(piperazin-1-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 921599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).