ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate

C14H23NO4 — CID 10199280

IUPACethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(=O)CC(C)C
InChIInChI=1S/C14H23NO4/c1-4-19-14(18)11-7-5-6-8-15(11)13(17)12(16)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyGQIAELAPNDUYHG-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.55
Rot. Bonds5

About ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate

ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate (PubChem CID 10199280) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate
PubChem CID10199280
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(=O)CC(C)C
InChIInChI=1S/C14H23NO4/c1-4-19-14(18)11-7-5-6-8-15(11)13(17)12(16)9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyGQIAELAPNDUYHG-UHFFFAOYSA-N
XLogP1.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate (CID 10199280) is ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C(=O)CC(C)C.
What is the InChIKey of ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate?
The InChIKey is GQIAELAPNDUYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-4-19-14(18)11-7-5-6-8-15(11)13(17)12(16)9-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate?
ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methyl-2-oxopentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 10199280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).