ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate

C24H32N2O6 — CID 1087322

IUPACethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1
InChIInChI=1S/C24H32N2O6/c1-3-31-23(29)17-8-12-25(13-9-17)21(27)19-6-5-7-20(16-19)22(28)26-14-10-18(11-15-26)24(30)32-4-2/h5-7,16-18H,3-4,8-15H2,1-2H3
InChIKeyJJVRAGNKHSZMNW-UHFFFAOYSA-N
MW444.53 g/mol
LogP2.52
Rot. Bonds6

About ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate

ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate (PubChem CID 1087322) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate
PubChem CID1087322
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Nameethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1
InChIInChI=1S/C24H32N2O6/c1-3-31-23(29)17-8-12-25(13-9-17)21(27)19-6-5-7-20(16-19)22(28)26-14-10-18(11-15-26)24(30)32-4-2/h5-7,16-18H,3-4,8-15H2,1-2H3
InChIKeyJJVRAGNKHSZMNW-UHFFFAOYSA-N
XLogP2.52
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate (CID 1087322) is ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1.
What is the InChIKey of ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is JJVRAGNKHSZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-3-31-23(29)17-8-12-25(13-9-17)21(27)19-6-5-7-20(16-19)22(28)26-14-10-18(11-15-26)24(30)32-4-2/h5-7,16-18H,3-4,8-15H2,1-2H3.
What are the key properties of ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 444.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 1087322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).