ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate

C17H21NO3 — CID 3266236

IUPACethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C17H21NO3/c1-2-20-17(19)13-7-9-18(10-8-13)12-15-11-14-5-3-4-6-16(14)21-15/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyREMVSWVCNGBRQY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.21
Rot. Bonds4

About ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate

ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 3266236) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
PubChem CID3266236
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C17H21NO3/c1-2-20-17(19)13-7-9-18(10-8-13)12-15-11-14-5-3-4-6-16(14)21-15/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyREMVSWVCNGBRQY-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156276
ethyl 1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 78789920
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
ethyl 1-[(5-nitrofuran-2-yl)methyl]piperidine-4-carboxylate
CID 791307
ethyl 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 4184370
ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidine-4-carboxylate
CID 2845409
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
CID 50896519
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 4223675

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate (CID 3266236) is ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cc3ccccc3o2)CC1.
What is the InChIKey of ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is REMVSWVCNGBRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-20-17(19)13-7-9-18(10-8-13)12-15-11-14-5-3-4-6-16(14)21-15/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate?
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 3266236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).