ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate

C17H21NO6 — CID 162406871

IUPACethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
SMILESCCOC(=O)C1C(OC(C)=O)CCC(=O)N1OCc1ccccc1
InChIInChI=1S/C17H21NO6/c1-3-22-17(21)16-14(24-12(2)19)9-10-15(20)18(16)23-11-13-7-5-4-6-8-13/h4-8,14,16H,3,9-11H2,1-2H3
InChIKeyBFDCRKAYIDOOTL-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.60
Rot. Bonds6

About ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate

ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate (PubChem CID 162406871) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
PubChem CID162406871
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Nameethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
SMILESCCOC(=O)C1C(OC(C)=O)CCC(=O)N1OCc1ccccc1
InChIInChI=1S/C17H21NO6/c1-3-22-17(21)16-14(24-12(2)19)9-10-15(20)18(16)23-11-13-7-5-4-6-8-13/h4-8,14,16H,3,9-11H2,1-2H3
InChIKeyBFDCRKAYIDOOTL-UHFFFAOYSA-N
XLogP1.60
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
The IUPAC name of ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate (CID 162406871) is ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate.
What is the SMILES notation for ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
The canonical SMILES for ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate is CCOC(=O)C1C(OC(C)=O)CCC(=O)N1OCc1ccccc1.
What is the InChIKey of ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
The InChIKey is BFDCRKAYIDOOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-3-22-17(21)16-14(24-12(2)19)9-10-15(20)18(16)23-11-13-7-5-4-6-8-13/h4-8,14,16H,3,9-11H2,1-2H3.
What are the key properties of ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-6-oxo-1-phenylmethoxypiperidine-2-carboxylate is sourced from PubChem (CID 162406871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).