ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate

C13H21NO5 — CID 57172970

IUPACethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)CC)CCC1OC(C)=O
InChIInChI=1S/C13H21NO5/c1-4-12(16)14-7-6-11(19-9(3)15)10(8-14)13(17)18-5-2/h10-11H,4-8H2,1-3H3
InChIKeyHOZKMKXDXVWOPA-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.74
Rot. Bonds4

About ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate

ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate (PubChem CID 57172970) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate
PubChem CID57172970
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nameethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)CC)CCC1OC(C)=O
InChIInChI=1S/C13H21NO5/c1-4-12(16)14-7-6-11(19-9(3)15)10(8-14)13(17)18-5-2/h10-11H,4-8H2,1-3H3
InChIKeyHOZKMKXDXVWOPA-UHFFFAOYSA-N
XLogP0.74
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate?
The IUPAC name of ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate (CID 57172970) is ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate is CCOC(=O)C1CN(C(=O)CC)CCC1OC(C)=O.
What is the InChIKey of ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate?
The InChIKey is HOZKMKXDXVWOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-4-12(16)14-7-6-11(19-9(3)15)10(8-14)13(17)18-5-2/h10-11H,4-8H2,1-3H3.
What are the key properties of ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate?
ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate has a molecular weight of 271.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 57172970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).