ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate

C20H25N3O4 — CID 71802680

IUPACethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C20H25N3O4/c1-3-27-20(26)22-10-8-15(9-11-22)21-19(25)13-23-12-17(14(2)24)16-6-4-5-7-18(16)23/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,21,25)
InChIKeyVAFDQZICOUIFOO-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.58
Rot. Bonds5

About ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 71802680) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID71802680
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2cc(C(C)=O)c3ccccc32)CC1
InChIInChI=1S/C20H25N3O4/c1-3-27-20(26)22-10-8-15(9-11-22)21-19(25)13-23-12-17(14(2)24)16-6-4-5-7-18(16)23/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,21,25)
InChIKeyVAFDQZICOUIFOO-UHFFFAOYSA-N
XLogP2.58
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate (CID 71802680) is ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2cc(C(C)=O)c3ccccc32)CC1.
What is the InChIKey of ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is VAFDQZICOUIFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-27-20(26)22-10-8-15(9-11-22)21-19(25)13-23-12-17(14(2)24)16-6-4-5-7-18(16)23/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-acetylindol-1-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 71802680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).