ethyl 1-acetylpiperidine-4-carboxylate

C10H17NO3 — CID 690430

IUPACethyl 1-acetylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)9-4-6-11(7-5-9)8(2)12/h9H,3-7H2,1-2H3
InChIKeySAIQQCUEISMNQC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds2

About ethyl 1-acetylpiperidine-4-carboxylate

ethyl 1-acetylpiperidine-4-carboxylate (PubChem CID 690430) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 1-acetylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetylpiperidine-4-carboxylate
PubChem CID690430
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 1-acetylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)9-4-6-11(7-5-9)8(2)12/h9H,3-7H2,1-2H3
InChIKeySAIQQCUEISMNQC-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-acetylpiperidine-4-carboxylate (CID 690430) is ethyl 1-acetylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-acetylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-acetylpiperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of ethyl 1-acetylpiperidine-4-carboxylate?
The InChIKey is SAIQQCUEISMNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(13)9-4-6-11(7-5-9)8(2)12/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 1-acetylpiperidine-4-carboxylate?
ethyl 1-acetylpiperidine-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-acetylpiperidine-4-carboxylate is sourced from PubChem (CID 690430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).