ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate

C23H23N3O4 — CID 127045508

IUPACethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C(=O)C1
InChIInChI=1S/C23H23N3O4/c1-2-30-23(29)16-11-12-26(21(27)14-16)18-9-7-17(8-10-18)24-22(28)20-13-15-5-3-4-6-19(15)25-20/h3-10,13,16,25H,2,11-12,14H2,1H3,(H,24,28)
InChIKeyHVTZIWLATQTGHE-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.73
Rot. Bonds5

About ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate

ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate (PubChem CID 127045508) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate
PubChem CID127045508
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Nameethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C(=O)C1
InChIInChI=1S/C23H23N3O4/c1-2-30-23(29)16-11-12-26(21(27)14-16)18-9-7-17(8-10-18)24-22(28)20-13-15-5-3-4-6-19(15)25-20/h3-10,13,16,25H,2,11-12,14H2,1H3,(H,24,28)
InChIKeyHVTZIWLATQTGHE-UHFFFAOYSA-N
XLogP3.73
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate (CID 127045508) is ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)C(=O)C1.
What is the InChIKey of ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate?
The InChIKey is HVTZIWLATQTGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-30-23(29)16-11-12-26(21(27)14-16)18-9-7-17(8-10-18)24-22(28)20-13-15-5-3-4-6-19(15)25-20/h3-10,13,16,25H,2,11-12,14H2,1H3,(H,24,28).
What are the key properties of ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate?
ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(1H-indole-2-carbonylamino)phenyl]-2-oxopiperidine-4-carboxylate is sourced from PubChem (CID 127045508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).