methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate

C15H20N2O5 — CID 110820105

IUPACmethyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H20N2O5/c1-21-14(19)5-4-13(18)16-11-6-8-17(9-7-11)15(20)12-3-2-10-22-12/h2-3,10-11H,4-9H2,1H3,(H,16,18)
InChIKeyGOEBXLAXTJZEPE-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.95
Rot. Bonds5

About methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate

methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate (PubChem CID 110820105) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
PubChem CID110820105
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namemethyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H20N2O5/c1-21-14(19)5-4-13(18)16-11-6-8-17(9-7-11)15(20)12-3-2-10-22-12/h2-3,10-11H,4-9H2,1H3,(H,16,18)
InChIKeyGOEBXLAXTJZEPE-UHFFFAOYSA-N
XLogP0.95
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595
3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 46539288
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 46510369
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
2-(4-cyanophenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46510338

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate (CID 110820105) is methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate is COC(=O)CCC(=O)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
The InChIKey is GOEBXLAXTJZEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-21-14(19)5-4-13(18)16-11-6-8-17(9-7-11)15(20)12-3-2-10-22-12/h2-3,10-11H,4-9H2,1H3,(H,16,18).
What are the key properties of methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate has a molecular weight of 308.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 110820105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).