ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate

C18H23NO4 — CID 110753790

IUPACethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2COc3ccccc32)C1
InChIInChI=1S/C18H23NO4/c1-2-22-18(21)13-6-5-9-19(11-13)17(20)10-14-12-23-16-8-4-3-7-15(14)16/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3
InChIKeyTVETYTZIAYXORI-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.35
Rot. Bonds4

About ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate (PubChem CID 110753790) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate
PubChem CID110753790
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Nameethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC2COc3ccccc32)C1
InChIInChI=1S/C18H23NO4/c1-2-22-18(21)13-6-5-9-19(11-13)17(20)10-14-12-23-16-8-4-3-7-15(14)16/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3
InChIKeyTVETYTZIAYXORI-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-2-carboxylate
CID 79230459
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
CID 42698854
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
CID 84553269
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate (CID 110753790) is ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC2COc3ccccc32)C1.
What is the InChIKey of ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is TVETYTZIAYXORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-2-22-18(21)13-6-5-9-19(11-13)17(20)10-14-12-23-16-8-4-3-7-15(14)16/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3.
What are the key properties of ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 317.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 110753790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).