3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one

C17H23NO2 — CID 116569479

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one
SMILESCC1(C(=O)CCc2ccc3c(c2)CCO3)CCCNC1
InChIInChI=1S/C17H23NO2/c1-17(8-2-9-18-12-17)16(19)6-4-13-3-5-15-14(11-13)7-10-20-15/h3,5,11,18H,2,4,6-10,12H2,1H3
InChIKeyUFHMDQGVFJWFIK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one (PubChem CID 116569479) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one
PubChem CID116569479
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one
SMILESCC1(C(=O)CCc2ccc3c(c2)CCO3)CCCNC1
InChIInChI=1S/C17H23NO2/c1-17(8-2-9-18-12-17)16(19)6-4-13-3-5-15-14(11-13)7-10-20-15/h3,5,11,18H,2,4,6-10,12H2,1H3
InChIKeyUFHMDQGVFJWFIK-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608221
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
CID 112563003
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
CID 112564401
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569415
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 111334716

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one (CID 116569479) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one is CC1(C(=O)CCc2ccc3c(c2)CCO3)CCCNC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one?
The InChIKey is UFHMDQGVFJWFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(8-2-9-18-12-17)16(19)6-4-13-3-5-15-14(11-13)7-10-20-15/h3,5,11,18H,2,4,6-10,12H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one has a molecular weight of 273.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one is sourced from PubChem (CID 116569479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).