ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate

C26H31N5O3 — CID 57208964

IUPACethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(N3CCN(CCN4CCN(c5ccccc5)C4=O)CC3)cccc12
InChIInChI=1S/C26H31N5O3/c1-2-34-25(32)22-19-27-24-21(22)9-6-10-23(24)29-14-11-28(12-15-29)13-16-30-17-18-31(26(30)33)20-7-4-3-5-8-20/h3-10,19,27H,2,11-18H2,1H3
InChIKeyDZSHNFLEYVRCBF-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.41
Rot. Bonds7

About ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate

ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate (PubChem CID 57208964) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate
PubChem CID57208964
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Nameethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(N3CCN(CCN4CCN(c5ccccc5)C4=O)CC3)cccc12
InChIInChI=1S/C26H31N5O3/c1-2-34-25(32)22-19-27-24-21(22)9-6-10-23(24)29-14-11-28(12-15-29)13-16-30-17-18-31(26(30)33)20-7-4-3-5-8-20/h3-10,19,27H,2,11-18H2,1H3
InChIKeyDZSHNFLEYVRCBF-UHFFFAOYSA-N
XLogP3.41
TPSA72.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate?
The IUPAC name of ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate (CID 57208964) is ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate is CCOC(=O)c1c[nH]c2c(N3CCN(CCN4CCN(c5ccccc5)C4=O)CC3)cccc12.
What is the InChIKey of ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate?
The InChIKey is DZSHNFLEYVRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-2-34-25(32)22-19-27-24-21(22)9-6-10-23(24)29-14-11-28(12-15-29)13-16-30-17-18-31(26(30)33)20-7-4-3-5-8-20/h3-10,19,27H,2,11-18H2,1H3.
What are the key properties of ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate?
ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate has a molecular weight of 461.57 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[4-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]piperazin-1-yl]-1H-indole-3-carboxylate is sourced from PubChem (CID 57208964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).