2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone

C16H22N2O2 — CID 86985261

IUPAC2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H22N2O2/c1-17(2)14-5-8-18(9-6-14)16(19)13-3-4-15-12(11-13)7-10-20-15/h3-4,11,14H,5-10H2,1-2H3
InChIKeyHEIFLHDCQUNMSM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone

2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 86985261) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID86985261
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H22N2O2/c1-17(2)14-5-8-18(9-6-14)16(19)13-3-4-15-12(11-13)7-10-20-15/h3-4,11,14H,5-10H2,1-2H3
InChIKeyHEIFLHDCQUNMSM-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
CID 78979831
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86824775
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 46585627
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82687767
[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110814917
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
CID 62199773

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone (CID 86985261) is 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is HEIFLHDCQUNMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17(2)14-5-8-18(9-6-14)16(19)13-3-4-15-12(11-13)7-10-20-15/h3-4,11,14H,5-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone?
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 86985261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).