benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate

C15H19NO3 — CID 129268188

IUPACbenzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
SMILESCCN1C(=O)CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-16-13(9-6-10-14(16)17)15(18)19-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyMLKNTNHHJHBOAE-ZDUSSCGKSA-N
MW261.32 g/mol
LogP2.13
Rot. Bonds4

About benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate

benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate (PubChem CID 129268188) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
PubChem CID129268188
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
SMILESCCN1C(=O)CCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-16-13(9-6-10-14(16)17)15(18)19-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyMLKNTNHHJHBOAE-ZDUSSCGKSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
2-O-benzyl 1-O-tert-butyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 11759402
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
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
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl (2S)-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]pyrrolidine-2-carboxylate
CID 95233560
benzyl (2S,3aS)-1-acetyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 134332338

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate (CID 129268188) is benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate is CCN1C(=O)CCC[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate?
The InChIKey is MLKNTNHHJHBOAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-16-13(9-6-10-14(16)17)15(18)19-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate?
benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 129268188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).