[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C27H33N3O3 — CID 42667458

IUPAC[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCCOc1cccc2c1cc(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)n2CCOC
InChIInChI=1S/C27H33N3O3/c1-3-33-26-13-7-12-24-23(26)21-25(30(24)19-20-32-2)27(31)29-17-15-28(16-18-29)14-8-11-22-9-5-4-6-10-22/h4-13,21H,3,14-20H2,1-2H3/b11-8+
InChIKeyXGYNVIHKWURCGJ-DHZHZOJOSA-N
MW447.58 g/mol
LogP4.16
Rot. Bonds9

About [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 42667458) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID42667458
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCCOc1cccc2c1cc(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)n2CCOC
InChIInChI=1S/C27H33N3O3/c1-3-33-26-13-7-12-24-23(26)21-25(30(24)19-20-32-2)27(31)29-17-15-28(16-18-29)14-8-11-22-9-5-4-6-10-22/h4-13,21H,3,14-20H2,1-2H3/b11-8+
InChIKeyXGYNVIHKWURCGJ-DHZHZOJOSA-N
XLogP4.16
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76867455
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
2-(2-methoxyethyl)-4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71964720
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
2-(2-ethoxyanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004575
2-(3-ethoxyphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977748
(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 112798203
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(1-methylpyrrol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110762690
[6-(2-methoxyethylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109342793
N-(2-ethoxyphenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide
CID 23940100

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 42667458) is [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is CCOc1cccc2c1cc(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)n2CCOC.
What is the InChIKey of [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is XGYNVIHKWURCGJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-3-33-26-13-7-12-24-23(26)21-25(30(24)19-20-32-2)27(31)29-17-15-28(16-18-29)14-8-11-22-9-5-4-6-10-22/h4-13,21H,3,14-20H2,1-2H3/b11-8+.
What are the key properties of [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 447.58 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-1-(2-methoxyethyl)indol-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42667458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).