1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone

C17H21NO2 — CID 114736543

IUPAC1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2cc3ccccc3o2)CCNCC1
InChIInChI=1S/C17H21NO2/c1-2-7-17(8-10-18-11-9-17)16(19)15-12-13-5-3-4-6-14(13)20-15/h3-6,12,18H,2,7-11H2,1H3
InChIKeyDSEYKVDCTWTRAR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.79
Rot. Bonds4

About 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone

1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone (PubChem CID 114736543) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
PubChem CID114736543
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2cc3ccccc3o2)CCNCC1
InChIInChI=1S/C17H21NO2/c1-2-7-17(8-10-18-11-9-17)16(19)15-12-13-5-3-4-6-14(13)20-15/h3-6,12,18H,2,7-11H2,1H3
InChIKeyDSEYKVDCTWTRAR-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-(3-propylpiperidin-3-yl)methanone
CID 114736555
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
CID 114736550
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
furan-3-yl-(4-propylpiperidin-4-yl)methanone
CID 116569278
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-adamantyl(1-benzofuran-2-yl)methanone
CID 11630537
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758782
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone (CID 114736543) is 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)c2cc3ccccc3o2)CCNCC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone?
The InChIKey is DSEYKVDCTWTRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-7-17(8-10-18-11-9-17)16(19)15-12-13-5-3-4-6-14(13)20-15/h3-6,12,18H,2,7-11H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone?
1-benzofuran-2-yl-(4-propylpiperidin-4-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-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 114736543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).