1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone

C17H21NO2 — CID 114736555

IUPAC1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cc3ccccc3o2)CCCNC1
InChIInChI=1S/C17H21NO2/c1-2-8-17(9-5-10-18-12-17)16(19)15-11-13-6-3-4-7-14(13)20-15/h3-4,6-7,11,18H,2,5,8-10,12H2,1H3
InChIKeyQQSWTJJEJPMTHC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.79
Rot. Bonds4

About 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone

1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone (PubChem CID 114736555) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
PubChem CID114736555
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cc3ccccc3o2)CCCNC1
InChIInChI=1S/C17H21NO2/c1-2-8-17(9-5-10-18-12-17)16(19)15-11-13-6-3-4-7-14(13)20-15/h3-4,6-7,11,18H,2,5,8-10,12H2,1H3
InChIKeyQQSWTJJEJPMTHC-UHFFFAOYSA-N
XLogP3.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
CID 114736543
1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
CID 114736550
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
(2-fluorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569677
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol
CID 71541292
(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
CID 116569633
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone (CID 114736555) is 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2cc3ccccc3o2)CCCNC1.
What is the InChIKey of 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone?
The InChIKey is QQSWTJJEJPMTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-8-17(9-5-10-18-12-17)16(19)15-11-13-6-3-4-7-14(13)20-15/h3-4,6-7,11,18H,2,5,8-10,12H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone?
1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 114736555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).