(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C21H24N4O2 — CID 55822131

IUPAC(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc2cc(C(=O)N3CCN(Cc4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C21H24N4O2/c1-2-27-18-6-5-17-12-20(23-19(17)13-18)21(26)25-10-8-24(9-11-25)15-16-4-3-7-22-14-16/h3-7,12-14,23H,2,8-11,15H2,1H3
InChIKeyJOFQNHBHKWSYCT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.92
Rot. Bonds5

About (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55822131) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID55822131
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc2cc(C(=O)N3CCN(Cc4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C21H24N4O2/c1-2-27-18-6-5-17-12-20(23-19(17)13-18)21(26)25-10-8-24(9-11-25)15-16-4-3-7-22-14-16/h3-7,12-14,23H,2,8-11,15H2,1H3
InChIKeyJOFQNHBHKWSYCT-UHFFFAOYSA-N
XLogP2.92
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55597469
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55825733
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55629311
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168568
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
(6-butoxy-1H-indol-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 47041147
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893
(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 35894830
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 55822131) is (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is CCOc1ccc2cc(C(=O)N3CCN(Cc4cccnc4)CC3)[nH]c2c1.
What is the InChIKey of (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JOFQNHBHKWSYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-27-18-6-5-17-12-20(23-19(17)13-18)21(26)25-10-8-24(9-11-25)15-16-4-3-7-22-14-16/h3-7,12-14,23H,2,8-11,15H2,1H3.
What are the key properties of (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55822131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).