2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid

C16H19NO4 — CID 78979831

IUPAC2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H19NO4/c18-15(19)9-11-3-6-17(7-4-11)16(20)13-1-2-14-12(10-13)5-8-21-14/h1-2,10-11H,3-9H2,(H,18,19)
InChIKeyWXRLXNRYPAAHCY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.95
Rot. Bonds3

About 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 78979831) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
PubChem CID78979831
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H19NO4/c18-15(19)9-11-3-6-17(7-4-11)16(20)13-1-2-14-12(10-13)5-8-21-14/h1-2,10-11H,3-9H2,(H,18,19)
InChIKeyWXRLXNRYPAAHCY-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82687767
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
2,3-dihydro-1-benzofuran-5-yl-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618855
[4-(benzenesulfonyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 110805144
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86824775
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid (CID 78979831) is 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is WXRLXNRYPAAHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(19)9-11-3-6-17(7-4-11)16(20)13-1-2-14-12(10-13)5-8-21-14/h1-2,10-11H,3-9H2,(H,18,19).
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 78979831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).