(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C25H31N3O5 — CID 55825733

IUPAC(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)[nH]c2c1
InChIInChI=1S/C25H31N3O5/c1-5-33-19-8-6-17-14-21(26-20(17)15-19)25(29)28-12-10-27(11-13-28)16-18-7-9-22(30-2)24(32-4)23(18)31-3/h6-9,14-15,26H,5,10-13,16H2,1-4H3
InChIKeyNIGZKCYJROKYGN-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.55
Rot. Bonds8

About (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 55825733) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID55825733
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)[nH]c2c1
InChIInChI=1S/C25H31N3O5/c1-5-33-19-8-6-17-14-21(26-20(17)15-19)25(29)28-12-10-27(11-13-28)16-18-7-9-22(30-2)24(32-4)23(18)31-3/h6-9,14-15,26H,5,10-13,16H2,1-4H3
InChIKeyNIGZKCYJROKYGN-UHFFFAOYSA-N
XLogP3.55
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55416242
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 67867873
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
(5,6,7-trimethoxynaphthalen-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110182317
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55740839
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168568
3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 37279964
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 55825733) is (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is CCOc1ccc2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)[nH]c2c1.
What is the InChIKey of (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is NIGZKCYJROKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-5-33-19-8-6-17-14-21(26-20(17)15-19)25(29)28-12-10-27(11-13-28)16-18-7-9-22(30-2)24(32-4)23(18)31-3/h6-9,14-15,26H,5,10-13,16H2,1-4H3.
What are the key properties of (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
(6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 453.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-1H-indol-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55825733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).