[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate

C16H20N2O4 — CID 137350947

IUPAC[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate
SMILESCNC(=O)OC1CCNCC1c1ccc2c(c1C)COC2=O
InChIInChI=1S/C16H20N2O4/c1-9-10(3-4-11-13(9)8-21-15(11)19)12-7-18-6-5-14(12)22-16(20)17-2/h3-4,12,14,18H,5-8H2,1-2H3,(H,17,20)
InChIKeyKOVSGMGGPVLSJV-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.47
Rot. Bonds2

About [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate

[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate (PubChem CID 137350947) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate
PubChem CID137350947
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate
SMILESCNC(=O)OC1CCNCC1c1ccc2c(c1C)COC2=O
InChIInChI=1S/C16H20N2O4/c1-9-10(3-4-11-13(9)8-21-15(11)19)12-7-18-6-5-14(12)22-16(20)17-2/h3-4,12,14,18H,5-8H2,1-2H3,(H,17,20)
InChIKeyKOVSGMGGPVLSJV-UHFFFAOYSA-N
XLogP1.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate with MolForge

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Related Compounds

5-(5-hydroxypiperidin-3-yl)-4-methyl-3H-2-benzofuran-1-one
CID 159049369
4-methyl-5-[(2R)-oxiran-2-yl]-3H-2-benzofuran-1-one
CID 59568646
4-methyl-5-[(2R)-6-methylmorpholin-2-yl]-3H-2-benzofuran-1-one
CID 137351137
5-[(2R,6R)-6-(hydroxymethyl)piperazin-2-yl]-4-methyl-3H-2-benzofuran-1-one
CID 137351197
[(1R)-2-amino-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-methylcarbamate
CID 175547780
5-(3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-d][1,4]diazepin-3-yl)-4-methyl-3H-2-benzofuran-1-one
CID 90247546
4-methyl-5-(piperidin-4-ylmethylsulfinyl)-3H-2-benzofuran-1-one
CID 86730513
5-[1-hydroxy-2-[(1-pyrrolidin-3-ylcyclobutyl)amino]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 134261033
4-methyl-5-(piperidin-4-ylmethylsulfanyl)-3H-2-benzofuran-1-one;2,2,2-trifluoroacetic acid
CID 171925642
4-methyl-1-oxo-3H-2-benzofuran-5-carbaldehyde
CID 118174393
5-fluoro-4-methyl-3H-2-benzofuran-1-one
CID 130120798
5-bromo-4-methyl-3H-2-benzofuran-1-one;ethane
CID 142367482

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate?
The IUPAC name of [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate (CID 137350947) is [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate.
What is the SMILES notation for [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate?
The canonical SMILES for [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate is CNC(=O)OC1CCNCC1c1ccc2c(c1C)COC2=O.
What is the InChIKey of [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate?
The InChIKey is KOVSGMGGPVLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9-10(3-4-11-13(9)8-21-15(11)19)12-7-18-6-5-14(12)22-16(20)17-2/h3-4,12,14,18H,5-8H2,1-2H3,(H,17,20).
What are the key properties of [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate?
[3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate has a molecular weight of 304.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperidin-4-yl] N-methylcarbamate is sourced from PubChem (CID 137350947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).