oxolan-3-yl 3-propylpiperidine-3-carboxylate

C13H23NO3 — CID 55212942

IUPACoxolan-3-yl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC2CCOC2)CCCNC1
InChIInChI=1S/C13H23NO3/c1-2-5-13(6-3-7-14-10-13)12(15)17-11-4-8-16-9-11/h11,14H,2-10H2,1H3
InChIKeyDJQVYQQCQXYTBB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.49
Rot. Bonds4

About oxolan-3-yl 3-propylpiperidine-3-carboxylate

oxolan-3-yl 3-propylpiperidine-3-carboxylate (PubChem CID 55212942) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxolan-3-yl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 3-propylpiperidine-3-carboxylate
PubChem CID55212942
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxolan-3-yl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC2CCOC2)CCCNC1
InChIInChI=1S/C13H23NO3/c1-2-5-13(6-3-7-14-10-13)12(15)17-11-4-8-16-9-11/h11,14H,2-10H2,1H3
InChIKeyDJQVYQQCQXYTBB-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-propylpiperidine-3-carboxylate?
The IUPAC name of oxolan-3-yl 3-propylpiperidine-3-carboxylate (CID 55212942) is oxolan-3-yl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for oxolan-3-yl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for oxolan-3-yl 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OC2CCOC2)CCCNC1.
What is the InChIKey of oxolan-3-yl 3-propylpiperidine-3-carboxylate?
The InChIKey is DJQVYQQCQXYTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-5-13(6-3-7-14-10-13)12(15)17-11-4-8-16-9-11/h11,14H,2-10H2,1H3.
What are the key properties of oxolan-3-yl 3-propylpiperidine-3-carboxylate?
oxolan-3-yl 3-propylpiperidine-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 55212942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).