[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

C20H24N2O4 — CID 18075616

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCC1CCCN(C(=O)COC(=O)c2ccccc2NCc2ccco2)C1
InChIInChI=1S/C20H24N2O4/c1-15-6-4-10-22(13-15)19(23)14-26-20(24)17-8-2-3-9-18(17)21-12-16-7-5-11-25-16/h2-3,5,7-9,11,15,21H,4,6,10,12-14H2,1H3
InChIKeyBRCDZVLRLHLNJN-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.31
Rot. Bonds6

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 18075616) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID18075616
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCC1CCCN(C(=O)COC(=O)c2ccccc2NCc2ccco2)C1
InChIInChI=1S/C20H24N2O4/c1-15-6-4-10-22(13-15)19(23)14-26-20(24)17-8-2-3-9-18(17)21-12-16-7-5-11-25-16/h2-3,5,7-9,11,15,21H,4,6,10,12-14H2,1H3
InChIKeyBRCDZVLRLHLNJN-UHFFFAOYSA-N
XLogP3.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149855
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613807
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 8578947
[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 50937701
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840667
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 18075616) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is CC1CCCN(C(=O)COC(=O)c2ccccc2NCc2ccco2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is BRCDZVLRLHLNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15-6-4-10-22(13-15)19(23)14-26-20(24)17-8-2-3-9-18(17)21-12-16-7-5-11-25-16/h2-3,5,7-9,11,15,21H,4,6,10,12-14H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 18075616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).