1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone

C14H17NO3 — CID 62112159

IUPAC1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCC(O)CC1
InChIInChI=1S/C14H17NO3/c16-13-3-5-15(6-4-13)14(17)10-1-2-11-8-18-9-12(11)7-10/h1-2,7,13,16H,3-6,8-9H2
InChIKeyLIMPLVGFLCGWAO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.31
Rot. Bonds1

About 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone

1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 62112159) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
PubChem CID62112159
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCC(O)CC1
InChIInChI=1S/C14H17NO3/c16-13-3-5-15(6-4-13)14(17)10-1-2-11-8-18-9-12(11)7-10/h1-2,7,13,16H,3-6,8-9H2
InChIKeyLIMPLVGFLCGWAO-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55229921
[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119423730
1,3-dihydro-2-benzofuran-5-yl-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500781
[3-(chloromethyl)pyrrolidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63744725
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119624400
methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate
CID 78986505
2-[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]acetic acid
CID 63733269
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49192438
1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone
CID 49195447
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide
CID 63744549

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone (CID 62112159) is 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc2c(c1)COC2)N1CCC(O)CC1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is LIMPLVGFLCGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-3-5-15(6-4-13)14(17)10-1-2-11-8-18-9-12(11)7-10/h1-2,7,13,16H,3-6,8-9H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 62112159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).