(4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone

C15H19N3O — CID 11821243

IUPAC(4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c1-2-17-7-9-18(10-8-17)15(19)14-11-12-5-3-4-6-13(12)16-14/h3-6,11,16H,2,7-10H2,1H3
InChIKeyPMEYJXDZLFOKCP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone (PubChem CID 11821243) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone
PubChem CID11821243
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c1-2-17-7-9-18(10-8-17)15(19)14-11-12-5-3-4-6-13(12)16-14/h3-6,11,16H,2,7-10H2,1H3
InChIKeyPMEYJXDZLFOKCP-UHFFFAOYSA-N
XLogP1.95
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone (CID 11821243) is (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone is CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The InChIKey is PMEYJXDZLFOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-17-7-9-18(10-8-17)15(19)14-11-12-5-3-4-6-13(12)16-14/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 11821243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).