2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate

C17H21NO3 — CID 649473

IUPAC2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCCN2CCCCC2)oc2ccccc12
InChIInChI=1S/C17H21NO3/c1-13-14-7-3-4-8-15(14)21-16(13)17(19)20-12-11-18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyOWLIVQIGRFUEDC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.38
Rot. Bonds4

About 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate

2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 649473) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate
PubChem CID649473
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCCN2CCCCC2)oc2ccccc12
InChIInChI=1S/C17H21NO3/c1-13-14-7-3-4-8-15(14)21-16(13)17(19)20-12-11-18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyOWLIVQIGRFUEDC-UHFFFAOYSA-N
XLogP3.38
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride
CID 138399237
2-piperidin-1-ium-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate chloride
CID 44657185
butyl 3-methyl-1-benzofuran-2-carboxylate
CID 78915206
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
ethyl-dimethyl-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium
CID 3143037
(1-ethylpiperidin-1-ium-1-yl)methyl 3-methyl-1-benzofuran-2-carboxylate iodide
CID 44655993
1-[3-(3-methyl-1-benzofuran-2-yl)-3-oxopropyl]piperidine-4-carboxylic acid
CID 82183414
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292207
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2637047
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653300

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate (CID 649473) is 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCCN2CCCCC2)oc2ccccc12.
What is the InChIKey of 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is OWLIVQIGRFUEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-14-7-3-4-8-15(14)21-16(13)17(19)20-12-11-18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate?
2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 649473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).