1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride

C18H24ClNO2 — CID 6603145

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCCc1oc2ccccc2c1C(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-2-16-18(14-8-4-5-9-17(14)21-16)15(20)10-13-19-11-6-3-7-12-19;/h4-5,8-9H,2-3,6-7,10-13H2,1H3;1H
InChIKeyRMWHLDJPEVHXRW-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.48
Rot. Bonds5

About 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride

1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 6603145) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID6603145
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCCc1oc2ccccc2c1C(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-2-16-18(14-8-4-5-9-17(14)21-16)15(20)10-13-19-11-6-3-7-12-19;/h4-5,8-9H,2-3,6-7,10-13H2,1H3;1H
InChIKeyRMWHLDJPEVHXRW-UHFFFAOYSA-N
XLogP4.48
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
CID 62957846
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
1-[2-[(4-ethoxyphenyl)methyl]-1-benzofuran-3-yl]-2-pyrrolidin-1-ylethanone;hydrochloride
CID 158957752
1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770
1-[(2-ethyl-1-benzofuran-3-yl)methyl]piperidine-3-carboxylic acid
CID 122040712
(2-butyl-1-benzofuran-3-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 141302893
1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050990
2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
CID 63497652

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride (CID 6603145) is 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride is CCc1oc2ccccc2c1C(=O)CCN1CCCCC1.Cl.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is RMWHLDJPEVHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-2-16-18(14-8-4-5-9-17(14)21-16)15(20)10-13-19-11-6-3-7-12-19;/h4-5,8-9H,2-3,6-7,10-13H2,1H3;1H.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 6603145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).