2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid

C17H21NO3 — CID 79609925

IUPAC2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCC(c1cc2ccccc2o1)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H21NO3/c1-12(16-11-14-4-2-3-5-15(14)21-16)18-8-6-13(7-9-18)10-17(19)20/h2-5,11-13H,6-10H2,1H3,(H,19,20)
InChIKeySCVFOCVPVXYXPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.68
Rot. Bonds4

About 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid

2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid (PubChem CID 79609925) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
PubChem CID79609925
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCC(c1cc2ccccc2o1)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H21NO3/c1-12(16-11-14-4-2-3-5-15(14)21-16)18-8-6-13(7-9-18)10-17(19)20/h2-5,11-13H,6-10H2,1H3,(H,19,20)
InChIKeySCVFOCVPVXYXPI-UHFFFAOYSA-N
XLogP3.68
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063666
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606610
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055146
1-[1-(1-benzofuran-2-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068817
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
2-[1-[1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606465
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine
CID 66201644
N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427777
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid (CID 79609925) is 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid is CC(c1cc2ccccc2o1)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is SCVFOCVPVXYXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(16-11-14-4-2-3-5-15(14)21-16)18-8-6-13(7-9-18)10-17(19)20/h2-5,11-13H,6-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid?
2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79609925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).