methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate

C10H17NO4 — CID 102569899

IUPACmethyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
SMILESCOCCN1CC(C(=O)OC)CCC1=O
InChIInChI=1S/C10H17NO4/c1-14-6-5-11-7-8(10(13)15-2)3-4-9(11)12/h8H,3-7H2,1-2H3
InChIKeyCRZPWWKCBPBODC-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.04
Rot. Bonds4

About methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate

methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate (PubChem CID 102569899) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
PubChem CID102569899
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
SMILESCOCCN1CC(C(=O)OC)CCC1=O
InChIInChI=1S/C10H17NO4/c1-14-6-5-11-7-8(10(13)15-2)3-4-9(11)12/h8H,3-7H2,1-2H3
InChIKeyCRZPWWKCBPBODC-UHFFFAOYSA-N
XLogP0.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-5-(oxazinane-2-carbonyl)piperidin-2-one
CID 45242060
4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one
CID 131918848
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
(3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 25293036
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237
(3S)-N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26399073
(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 97150658
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 45192162
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42213070
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate (CID 102569899) is methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate is COCCN1CC(C(=O)OC)CCC1=O.
What is the InChIKey of methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is CRZPWWKCBPBODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-6-5-11-7-8(10(13)15-2)3-4-9(11)12/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate?
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 102569899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).