1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one

C18H25N3O — CID 135015911

IUPAC1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C18H25N3O/c1-4-20-7-9-21(10-8-20)18(22)14(3)17-12-15-11-13(2)5-6-16(15)19-17/h5-6,11-12,14,19H,4,7-10H2,1-3H3
InChIKeyMRNNEVXEOVZKKL-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one

1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one (PubChem CID 135015911) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one
PubChem CID135015911
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)c2cc3cc(C)ccc3[nH]2)CC1
InChIInChI=1S/C18H25N3O/c1-4-20-7-9-21(10-8-20)18(22)14(3)17-12-15-11-13(2)5-6-16(15)19-17/h5-6,11-12,14,19H,4,7-10H2,1-3H3
InChIKeyMRNNEVXEOVZKKL-UHFFFAOYSA-N
XLogP2.74
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one (CID 135015911) is 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one is CCN1CCN(C(=O)C(C)c2cc3cc(C)ccc3[nH]2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one?
The InChIKey is MRNNEVXEOVZKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-20-7-9-21(10-8-20)18(22)14(3)17-12-15-11-13(2)5-6-16(15)19-17/h5-6,11-12,14,19H,4,7-10H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one has a molecular weight of 299.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one is sourced from PubChem (CID 135015911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).