ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate

C13H23NO3 — CID 670003

IUPACethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)11-5-7-14(8-6-11)12(15)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLHMXIRVZMGWCLY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds4

About ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate

ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (PubChem CID 670003) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
PubChem CID670003
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)11-5-7-14(8-6-11)12(15)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLHMXIRVZMGWCLY-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate (CID 670003) is ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
The InChIKey is LHMXIRVZMGWCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-17-13(16)11-5-7-14(8-6-11)12(15)9-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate?
ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 670003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).