ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate

C16H22N2O3 — CID 70594026

IUPACethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCNC(=O)C1NC(C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)13-9-10-17-15(19)14(13)18-11(2)12-7-5-4-6-8-12/h4-8,11,13-14,18H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyORNKRDXDUTURIY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.40
Rot. Bonds5

About ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate

ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate (PubChem CID 70594026) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate
PubChem CID70594026
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCNC(=O)C1NC(C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)13-9-10-17-15(19)14(13)18-11(2)12-7-5-4-6-8-12/h4-8,11,13-14,18H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyORNKRDXDUTURIY-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R,4R)-3-[[(1S)-1-phenylethyl]amino]oxane-4-carboxylate
CID 86708998
(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838
[(3S,4S)-3-ethoxycarbonyl-4-[[(1S)-1-phenylethyl]amino]pyrrolidin-1-yl]-methylborinic acid
CID 91490093
ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
CID 57012477
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
sodium;ethyl (7R,8R)-8-[[(1R)-1-phenylethyl]amino]-1,4-dioxaspiro[4.5]decane-7-carboxylate;ethyl (8R)-8-[[(1R)-1-phenylethyl]amino]-1,4-dioxaspiro[4.5]decane-7-carboxylate;2-methylpropan-2-olate;oxolane
CID 160523324
ethyl (1R)-2-[[(1R)-1-phenylethyl]amino]cyclohexane-1-carboxylate;methane;trans-(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 158882423
ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 168891072
benzyl (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohex-3-ene-1-carboxylate
CID 10980580
ethyl (1S,3R,4S)-1-(1-phenylethyl)-1-azoniabicyclo[2.2.1]heptane-3-carboxylate
CID 22843484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate (CID 70594026) is ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate is CCOC(=O)C1CCNC(=O)C1NC(C)c1ccccc1.
What is the InChIKey of ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate?
The InChIKey is ORNKRDXDUTURIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-16(20)13-9-10-17-15(19)14(13)18-11(2)12-7-5-4-6-8-12/h4-8,11,13-14,18H,3,9-10H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate?
ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-(1-phenylethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 70594026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).