ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate

C20H27NO6 — CID 24744407

IUPACethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
SMILESCCOC(=O)C1C(OC(=O)C(C)(C)C)CCC(=O)N1OCc1ccccc1
InChIInChI=1S/C20H27NO6/c1-5-25-18(23)17-15(27-19(24)20(2,3)4)11-12-16(22)21(17)26-13-14-9-7-6-8-10-14/h6-10,15,17H,5,11-13H2,1-4H3
InChIKeyWXZSLADYUQNMTE-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.63
Rot. Bonds6

About ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate

ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate (PubChem CID 24744407) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
PubChem CID24744407
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Nameethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
SMILESCCOC(=O)C1C(OC(=O)C(C)(C)C)CCC(=O)N1OCc1ccccc1
InChIInChI=1S/C20H27NO6/c1-5-25-18(23)17-15(27-19(24)20(2,3)4)11-12-16(22)21(17)26-13-14-9-7-6-8-10-14/h6-10,15,17H,5,11-13H2,1-4H3
InChIKeyWXZSLADYUQNMTE-UHFFFAOYSA-N
XLogP2.63
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
CID 11780817
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
2-O-benzyl 3-O-ethyl 2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
CID 58724388
ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
CID 102569820
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
2-O-benzyl 3-O-ethyl (3S,3aS,6aR)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3R,3aR,6aS)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate
CID 154809480
1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 70453490
(2S,3S)-1-benzyl-3-ethoxycarbonylaziridine-2-carboxylic acid
CID 139695326

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
The IUPAC name of ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate (CID 24744407) is ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
The canonical SMILES for ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate is CCOC(=O)C1C(OC(=O)C(C)(C)C)CCC(=O)N1OCc1ccccc1.
What is the InChIKey of ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
The InChIKey is WXZSLADYUQNMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6/c1-5-25-18(23)17-15(27-19(24)20(2,3)4)11-12-16(22)21(17)26-13-14-9-7-6-8-10-14/h6-10,15,17H,5,11-13H2,1-4H3.
What are the key properties of ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate?
ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate is sourced from PubChem (CID 24744407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).