4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid

C14H15NO3 — CID 21105470

IUPAC4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2coc3ccccc23)CC1
InChIInChI=1S/C14H15NO3/c16-14(17)15-7-5-10(6-8-15)12-9-18-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H,16,17)
InChIKeyWDKTVOKARXOQLB-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.29
Rot. Bonds1

About 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid

4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid (PubChem CID 21105470) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
PubChem CID21105470
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2coc3ccccc23)CC1
InChIInChI=1S/C14H15NO3/c16-14(17)15-7-5-10(6-8-15)12-9-18-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H,16,17)
InChIKeyWDKTVOKARXOQLB-UHFFFAOYSA-N
XLogP3.29
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Ethyl-benzofuran-3-yl)-3-piperidin-1-yl-propan-1-one
CID 6603145
3-(Benzofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 9859365
3-Benzofuran-2-yl-1-aza-bicyclo[2.2.2]octane
CID 10398843
3-Benzofuran-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene
CID 10466231
[(1R)-1-acetamido-2-(1-benzofuran-3-yl)ethyl]boronic acid
CID 71616890
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
CID 140861710
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
CID 70674942
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 70675174
3-(1-Benzofuran-2-yl)-1-methyl-1-azoniabicyclo[2.2.2]oct-2-ene
CID 10429011
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-5-carbaldehyde
CID 10491094
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-carbaldehyde
CID 10515035
3-(3-Phenyl-1-benzofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10542335

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid (CID 21105470) is 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2coc3ccccc23)CC1.
What is the InChIKey of 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid?
The InChIKey is WDKTVOKARXOQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-14(17)15-7-5-10(6-8-15)12-9-18-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2,(H,16,17).
What are the key properties of 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid?
4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 21105470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).