ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate

C17H22N2O4 — CID 56760661

IUPACethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(NC(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C17H22N2O4/c1-2-22-17(21)13-6-4-9-19(11-13)18-16(20)14-7-3-5-12-8-10-23-15(12)14/h3,5,7,13H,2,4,6,8-11H2,1H3,(H,18,20)
InChIKeyCXCCBRNYSALAEQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.54
Rot. Bonds4

About ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate

ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate (PubChem CID 56760661) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate
PubChem CID56760661
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(NC(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C17H22N2O4/c1-2-22-17(21)13-6-4-9-19(11-13)18-16(20)14-7-3-5-12-8-10-23-15(12)14/h3,5,7,13H,2,4,6,8-11H2,1H3,(H,18,20)
InChIKeyCXCCBRNYSALAEQ-UHFFFAOYSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 67794762
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylate
CID 6930883
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidine-3-carboxylate
CID 94041930
ethyl 2-[[cyclohexyl(2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42782284
ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate
CID 139912462
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 136565035
ethyl (3R)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylate
CID 106548126
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate (CID 56760661) is ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate is CCOC(=O)C1CCCN(NC(=O)c2cccc3c2OCC3)C1.
What is the InChIKey of ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate?
The InChIKey is CXCCBRNYSALAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-22-17(21)13-6-4-9-19(11-13)18-16(20)14-7-3-5-12-8-10-23-15(12)14/h3,5,7,13H,2,4,6,8-11H2,1H3,(H,18,20).
What are the key properties of ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate?
ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate is sourced from PubChem (CID 56760661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).