methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

C15H22N2O4 — CID 78915535

IUPACmethyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C15H22N2O4/c1-16(10-12-6-5-9-21-12)14(18)11-17-8-4-3-7-13(17)15(19)20-2/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyCZVQXQGUEQMRQM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.27
Rot. Bonds5

About methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 78915535) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
PubChem CID78915535
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C15H22N2O4/c1-16(10-12-6-5-9-21-12)14(18)11-17-8-4-3-7-13(17)15(19)20-2/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyCZVQXQGUEQMRQM-UHFFFAOYSA-N
XLogP1.27
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 167964277
methyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxylate
CID 78927090
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51260677
N-(furan-2-ylmethyl)-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802926
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 115963661
N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95570875
(2R)-N-(furan-2-ylmethyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 38775053
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (CID 78915535) is methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1CC(=O)N(C)Cc1ccco1.
What is the InChIKey of methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is CZVQXQGUEQMRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16(10-12-6-5-9-21-12)14(18)11-17-8-4-3-7-13(17)15(19)20-2/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 78915535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).