ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate

C20H27N3O5 — CID 5308045

IUPACethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1
InChIInChI=1S/C20H27N3O5/c1-3-28-20(26)22-9-7-15(8-10-22)21-18(24)16-6-4-5-14-13-23(11-12-27-2)19(25)17(14)16/h4-6,15H,3,7-13H2,1-2H3,(H,21,24)
InChIKeyMWVPZZWYELKWOO-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.64
Rot. Bonds6

About ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 5308045) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID5308045
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nameethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1
InChIInChI=1S/C20H27N3O5/c1-3-28-20(26)22-9-7-15(8-10-22)21-18(24)16-6-4-5-14-13-23(11-12-27-2)19(25)17(14)16/h4-6,15H,3,7-13H2,1-2H3,(H,21,24)
InChIKeyMWVPZZWYELKWOO-UHFFFAOYSA-N
XLogP1.64
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate (CID 5308045) is ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1.
What is the InChIKey of ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is MWVPZZWYELKWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-3-28-20(26)22-9-7-15(8-10-22)21-18(24)16-6-4-5-14-13-23(11-12-27-2)19(25)17(14)16/h4-6,15H,3,7-13H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 5308045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).