[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate

C18H27N3O6 — CID 18999979

IUPAC[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate
SMILESCCOC(COC(=O)NCc1ccccn1)COC(=O)N1CCC(O)CC1
InChIInChI=1S/C18H27N3O6/c1-2-25-16(13-27-18(24)21-9-6-15(22)7-10-21)12-26-17(23)20-11-14-5-3-4-8-19-14/h3-5,8,15-16,22H,2,6-7,9-13H2,1H3,(H,20,23)
InChIKeyUQXMXDVYPAWLEB-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.31
Rot. Bonds8

About [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate

[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate (PubChem CID 18999979) has the molecular formula C18H27N3O6 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate
PubChem CID18999979
Molecular FormulaC18H27N3O6
Molecular Weight381.43 g/mol
Exact Mass381.19
IUPAC Name[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate
SMILESCCOC(COC(=O)NCc1ccccn1)COC(=O)N1CCC(O)CC1
InChIInChI=1S/C18H27N3O6/c1-2-25-16(13-27-18(24)21-9-6-15(22)7-10-21)12-26-17(23)20-11-14-5-3-4-8-19-14/h3-5,8,15-16,22H,2,6-7,9-13H2,1H3,(H,20,23)
InChIKeyUQXMXDVYPAWLEB-UHFFFAOYSA-N
XLogP1.31
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate (CID 18999979) is [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate is CCOC(COC(=O)NCc1ccccn1)COC(=O)N1CCC(O)CC1.
What is the InChIKey of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
The InChIKey is UQXMXDVYPAWLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6/c1-2-25-16(13-27-18(24)21-9-6-15(22)7-10-21)12-26-17(23)20-11-14-5-3-4-8-19-14/h3-5,8,15-16,22H,2,6-7,9-13H2,1H3,(H,20,23).
What are the key properties of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 18999979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).