ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate

C16H25NO6 — CID 143725740

IUPACethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(=O)[C@]1(O)OCCC[C@H]1C
InChIInChI=1S/C16H25NO6/c1-3-22-15(20)12-8-4-5-9-17(12)14(19)13(18)16(21)11(2)7-6-10-23-16/h11-12,21H,3-10H2,1-2H3/t11-,12?,16-/m1/s1
InChIKeyOTDKQCUPVJVSCD-DLTQXHKRSA-N
MW327.38 g/mol
LogP0.63
Rot. Bonds4

About ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate

ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate (PubChem CID 143725740) has the molecular formula C16H25NO6 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
PubChem CID143725740
Molecular FormulaC16H25NO6
Molecular Weight327.38 g/mol
Exact Mass327.17
IUPAC Nameethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(=O)[C@]1(O)OCCC[C@H]1C
InChIInChI=1S/C16H25NO6/c1-3-22-15(20)12-8-4-5-9-17(12)14(19)13(18)16(21)11(2)7-6-10-23-16/h11-12,21H,3-10H2,1-2H3/t11-,12?,16-/m1/s1
InChIKeyOTDKQCUPVJVSCD-DLTQXHKRSA-N
XLogP0.63
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 143457765
(5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 143131352
ethyl 1-(1-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 60952886
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
CID 115439298
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
CID 59417753
CID 59417753
2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978462

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate (CID 143725740) is ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C(=O)[C@]1(O)OCCC[C@H]1C.
What is the InChIKey of ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate?
The InChIKey is OTDKQCUPVJVSCD-DLTQXHKRSA-N. The full InChI is InChI=1S/C16H25NO6/c1-3-22-15(20)12-8-4-5-9-17(12)14(19)13(18)16(21)11(2)7-6-10-23-16/h11-12,21H,3-10H2,1-2H3/t11-,12?,16-/m1/s1.
What are the key properties of ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate?
ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 143725740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).