methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate

C15H21NO4 — CID 93436463

IUPACmethyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
SMILESCCc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)OC)o1
InChIInChI=1S/C15H21NO4/c1-3-12-7-8-13(20-12)15(18)16-9-5-4-6-11(16)10-14(17)19-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyGRBWQHRHBYPFCY-LLVKDONJSA-N
MW279.34 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate

methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate (PubChem CID 93436463) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
PubChem CID93436463
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
SMILESCCc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)OC)o1
InChIInChI=1S/C15H21NO4/c1-3-12-7-8-13(20-12)15(18)16-9-5-4-6-11(16)10-14(17)19-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyGRBWQHRHBYPFCY-LLVKDONJSA-N
XLogP2.40
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 129367512
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472230
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
[5-(aminomethyl)furan-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686131

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate (CID 93436463) is methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate is CCc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)OC)o1.
What is the InChIKey of methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate?
The InChIKey is GRBWQHRHBYPFCY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-12-7-8-13(20-12)15(18)16-9-5-4-6-11(16)10-14(17)19-2/h7-8,11H,3-6,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate?
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate has a molecular weight of 279.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 93436463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).