ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

C22H32N2O5 — CID 42245389

IUPACethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCN2CCCO2)C1
InChIInChI=1S/C22H32N2O5/c1-2-27-21(26)22(12-17-28-19-8-4-3-5-9-19)11-6-13-23(18-22)20(25)10-15-24-14-7-16-29-24/h3-5,8-9H,2,6-7,10-18H2,1H3/t22-/m1/s1
InChIKeyHFFXPCATYJOJOJ-JOCHJYFZSA-N
MW404.51 g/mol
LogP2.65
Rot. Bonds9

About ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate (PubChem CID 42245389) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
PubChem CID42245389
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Nameethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCN2CCCO2)C1
InChIInChI=1S/C22H32N2O5/c1-2-27-21(26)22(12-17-28-19-8-4-3-5-9-19)11-6-13-23(18-22)20(25)10-15-24-14-7-16-29-24/h3-5,8-9H,2,6-7,10-18H2,1H3/t22-/m1/s1
InChIKeyHFFXPCATYJOJOJ-JOCHJYFZSA-N
XLogP2.65
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-(oxazinan-2-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 45232755
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 42212234
ethyl 1-(1H-indazole-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45227394
ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45234907
ethyl (3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 25299134
ethyl 1-[3-(benzimidazol-1-yl)propanoyl]-3-(2-phenylethyl)piperidine-3-carboxylate
CID 45204825
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598
ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806
ethyl (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42311023
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896
ethyl (3S)-1-(2-methoxyacetyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 42384189

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate (CID 42245389) is ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate is CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CCN2CCCO2)C1.
What is the InChIKey of ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The InChIKey is HFFXPCATYJOJOJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-2-27-21(26)22(12-17-28-19-8-4-3-5-9-19)11-6-13-23(18-22)20(25)10-15-24-14-7-16-29-24/h3-5,8-9H,2,6-7,10-18H2,1H3/t22-/m1/s1.
What are the key properties of ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 2.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 42245389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).