benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

C17H23NO4 — CID 86319274

IUPACbenzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-2-21-16(19)12-15-10-6-7-11-18(15)17(20)22-13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3/t15-/m0/s1
InChIKeyDJNAOSVXYDYKKU-HNNXBMFYSA-N
MW305.37 g/mol
LogP3.13
Rot. Bonds5

About benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 86319274) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID86319274
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namebenzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c1-2-21-16(19)12-15-10-6-7-11-18(15)17(20)22-13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3/t15-/m0/s1
InChIKeyDJNAOSVXYDYKKU-HNNXBMFYSA-N
XLogP3.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate
CID 100993644
benzyl 2-(2-oxoheptyl)pyrrolidine-1-carboxylate
CID 11012572
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
benzyl 2-[[(2-aminoacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564799
2-[ethyl-[[(2S)-1-phenylmethoxycarbonylpiperidin-2-yl]methyl]amino]acetic acid
CID 96552254
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (CID 86319274) is benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is CCOC(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is DJNAOSVXYDYKKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-21-16(19)12-15-10-6-7-11-18(15)17(20)22-13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3/t15-/m0/s1.
What are the key properties of benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 86319274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).