methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate

C11H18N2O5 — CID 67713903

IUPACmethyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
SMILESCOC(=O)CN1CCC(C(=O)OC)C(C(N)=O)C1
InChIInChI=1S/C11H18N2O5/c1-17-9(14)6-13-4-3-7(11(16)18-2)8(5-13)10(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyPUOMWNMTBCEQMM-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.24
Rot. Bonds4

About methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate

methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate (PubChem CID 67713903) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
PubChem CID67713903
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namemethyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
SMILESCOC(=O)CN1CCC(C(=O)OC)C(C(N)=O)C1
InChIInChI=1S/C11H18N2O5/c1-17-9(14)6-13-4-3-7(11(16)18-2)8(5-13)10(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15)
InChIKeyPUOMWNMTBCEQMM-UHFFFAOYSA-N
XLogP-1.24
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
methyl 2-(4-amino-3-ethylpiperidin-1-yl)acetate
CID 81460463
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate
CID 130605326
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
CID 120854764

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate (CID 67713903) is methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate is COC(=O)CN1CCC(C(=O)OC)C(C(N)=O)C1.
What is the InChIKey of methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate?
The InChIKey is PUOMWNMTBCEQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-17-9(14)6-13-4-3-7(11(16)18-2)8(5-13)10(12)15/h7-8H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate?
methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 67713903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).