ethyl 1-pentanoylpiperidine-3-carboxylate

C13H23NO3 — CID 2957207

IUPACethyl 1-pentanoylpiperidine-3-carboxylate
SMILESCCCCC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C13H23NO3/c1-3-5-8-12(15)14-9-6-7-11(10-14)13(16)17-4-2/h11H,3-10H2,1-2H3
InChIKeyMLAYMFGAULCWRV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds5

About ethyl 1-pentanoylpiperidine-3-carboxylate

ethyl 1-pentanoylpiperidine-3-carboxylate (PubChem CID 2957207) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 1-pentanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-pentanoylpiperidine-3-carboxylate
PubChem CID2957207
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 1-pentanoylpiperidine-3-carboxylate
SMILESCCCCC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C13H23NO3/c1-3-5-8-12(15)14-9-6-7-11(10-14)13(16)17-4-2/h11H,3-10H2,1-2H3
InChIKeyMLAYMFGAULCWRV-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-pentanoylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-pentanoylpiperidine-3-carboxylate (CID 2957207) is ethyl 1-pentanoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-pentanoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-pentanoylpiperidine-3-carboxylate is CCCCC(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-pentanoylpiperidine-3-carboxylate?
The InChIKey is MLAYMFGAULCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-8-12(15)14-9-6-7-11(10-14)13(16)17-4-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 1-pentanoylpiperidine-3-carboxylate?
ethyl 1-pentanoylpiperidine-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pentanoylpiperidine-3-carboxylate is sourced from PubChem (CID 2957207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).