ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate

C12H21NO3 — CID 141202232

IUPACethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C(C)=O)CCN(CC)CC1
InChIInChI=1S/C12H21NO3/c1-4-13-8-6-12(7-9-13,10(3)14)11(15)16-5-2/h4-9H2,1-3H3
InChIKeyZQWVXBSVDHKLIJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds4

About ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate

ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate (PubChem CID 141202232) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
PubChem CID141202232
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C(C)=O)CCN(CC)CC1
InChIInChI=1S/C12H21NO3/c1-4-13-8-6-12(7-9-13,10(3)14)11(15)16-5-2/h4-9H2,1-3H3
InChIKeyZQWVXBSVDHKLIJ-UHFFFAOYSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253
ethyl 2-acetylspiro[3.4]octane-2-carboxylate
CID 79560430
ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
CID 144539360
diethyl 1-chlorosulfonylpiperidine-4,4-dicarboxylate
CID 86000209
ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
CID 62395927
ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 60787165
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)pentanoate
CID 83042795
ethyl 1-carbonobromidoylcyclobutane-1-carboxylate
CID 20826021
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)-2-fluoroacetate
CID 79366817

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate (CID 141202232) is ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate is CCOC(=O)C1(C(C)=O)CCN(CC)CC1.
What is the InChIKey of ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate?
The InChIKey is ZQWVXBSVDHKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-13-8-6-12(7-9-13,10(3)14)11(15)16-5-2/h4-9H2,1-3H3.
What are the key properties of ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate?
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 141202232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).