[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate

C18H24N2O5 — CID 97095151

IUPAC[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H](OC(=O)[C@H]1CCCN(C(=O)CC)C1)c1cccnc1
InChIInChI=1S/C18H24N2O5/c1-3-15(21)20-10-6-8-14(12-20)17(22)25-16(18(23)24-4-2)13-7-5-9-19-11-13/h5,7,9,11,14,16H,3-4,6,8,10,12H2,1-2H3/t14-,16+/m0/s1
InChIKeyGJPPYMAKXORGEZ-GOEBONIOSA-N
MW348.40 g/mol
LogP1.88
Rot. Bonds6

About [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate

[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate (PubChem CID 97095151) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate
PubChem CID97095151
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@H](OC(=O)[C@H]1CCCN(C(=O)CC)C1)c1cccnc1
InChIInChI=1S/C18H24N2O5/c1-3-15(21)20-10-6-8-14(12-20)17(22)25-16(18(23)24-4-2)13-7-5-9-19-11-13/h5,7,9,11,14,16H,3-4,6,8,10,12H2,1-2H3/t14-,16+/m0/s1
InChIKeyGJPPYMAKXORGEZ-GOEBONIOSA-N
XLogP1.88
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate
CID 94406897
ethyl 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-pyridin-3-ylacetate
CID 59570519
1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 110649410
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl 1-[4-(pyridin-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxylate
CID 55684571
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-[(2R)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxylate
CID 95383565
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate (CID 97095151) is [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate is CCOC(=O)[C@H](OC(=O)[C@H]1CCCN(C(=O)CC)C1)c1cccnc1.
What is the InChIKey of [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate?
The InChIKey is GJPPYMAKXORGEZ-GOEBONIOSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-15(21)20-10-6-8-14(12-20)17(22)25-16(18(23)24-4-2)13-7-5-9-19-11-13/h5,7,9,11,14,16H,3-4,6,8,10,12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate?
[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 97095151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).