methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate

C14H19NO4 — CID 99859108

IUPACmethyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(C(=O)c2ccoc2C)C[C@H]1C
InChIInChI=1S/C14H19NO4/c1-9-8-15(6-4-11(9)14(17)18-3)13(16)12-5-7-19-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3/t9-,11-/m1/s1
InChIKeyFXZKDVQQXNFWHX-MWLCHTKSSA-N
MW265.31 g/mol
LogP1.86
Rot. Bonds2

About methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate

methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate (PubChem CID 99859108) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
PubChem CID99859108
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(C(=O)c2ccoc2C)C[C@H]1C
InChIInChI=1S/C14H19NO4/c1-9-8-15(6-4-11(9)14(17)18-3)13(16)12-5-7-19-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3/t9-,11-/m1/s1
InChIKeyFXZKDVQQXNFWHX-MWLCHTKSSA-N
XLogP1.86
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794318
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 99834690
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate (CID 99859108) is methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate is COC(=O)[C@@H]1CCN(C(=O)c2ccoc2C)C[C@H]1C.
What is the InChIKey of methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is FXZKDVQQXNFWHX-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-8-15(6-4-11(9)14(17)18-3)13(16)12-5-7-19-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate?
methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 99859108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).