methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

C26H31N3O4 — CID 19772625

IUPACmethyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C26H31N3O4/c1-3-23(30)29(21-10-5-4-6-11-21)26(25(32)33-2)13-15-27(16-14-26)17-18-28-22-12-8-7-9-20(22)19-24(28)31/h4-12H,3,13-19H2,1-2H3
InChIKeySSKYVFQDOKANDP-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.03
Rot. Bonds7

About methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 19772625) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID19772625
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Namemethyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C26H31N3O4/c1-3-23(30)29(21-10-5-4-6-11-21)26(25(32)33-2)13-15-27(16-14-26)17-18-28-22-12-8-7-9-20(22)19-24(28)31/h4-12H,3,13-19H2,1-2H3
InChIKeySSKYVFQDOKANDP-UHFFFAOYSA-N
XLogP3.03
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 19772625) is methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is SSKYVFQDOKANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-3-23(30)29(21-10-5-4-6-11-21)26(25(32)33-2)13-15-27(16-14-26)17-18-28-22-12-8-7-9-20(22)19-24(28)31/h4-12H,3,13-19H2,1-2H3.
What are the key properties of methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 449.55 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-oxo-3H-indol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 19772625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).