(4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone

C16H21N3O2 — CID 4905025

IUPAC(4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1
InChIInChI=1S/C16H21N3O2/c1-3-18-6-8-19(9-7-18)16(20)15-10-12-4-5-13(21-2)11-14(12)17-15/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyVPLRYYXKFDTJEA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.95
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 4905025) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID4905025
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1
InChIInChI=1S/C16H21N3O2/c1-3-18-6-8-19(9-7-18)16(20)15-10-12-4-5-13(21-2)11-14(12)17-15/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyVPLRYYXKFDTJEA-UHFFFAOYSA-N
XLogP1.95
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone (CID 4905025) is (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone is CCN1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is VPLRYYXKFDTJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-18-6-8-19(9-7-18)16(20)15-10-12-4-5-13(21-2)11-14(12)17-15/h4-5,10-11,17H,3,6-9H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 4905025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).