methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate

C14H19NO4 — CID 114822101

IUPACmethyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1coc(C)c1
InChIInChI=1S/C14H19NO4/c1-10-7-11(9-19-10)14(17)15-6-4-3-5-12(15)8-13(16)18-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGGEHFUDCSUYQPT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.15
Rot. Bonds3

About methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate (PubChem CID 114822101) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
PubChem CID114822101
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1coc(C)c1
InChIInChI=1S/C14H19NO4/c1-10-7-11(9-19-10)14(17)15-6-4-3-5-12(15)8-13(16)18-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGGEHFUDCSUYQPT-UHFFFAOYSA-N
XLogP2.15
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 126769437
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
methyl 2-[1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]piperidin-2-yl]acetate
CID 15986844
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
methyl 2-[(2R)-1-[3-hydroxy-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetate
CID 166280266
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate
CID 61009143
methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate
CID 114284658

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate (CID 114822101) is methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1coc(C)c1.
What is the InChIKey of methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate?
The InChIKey is GGEHFUDCSUYQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-7-11(9-19-10)14(17)15-6-4-3-5-12(15)8-13(16)18-2/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 114822101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).