(2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone

C21H28N2O3 — CID 167988124

IUPAC(2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone
SMILESCCCCc1oc2ccccc2c1C(=O)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C21H28N2O3/c1-2-3-7-19-20(17-6-4-5-8-18(17)26-19)21(25)22-11-9-15(10-12-22)23-13-16(24)14-23/h4-6,8,15-16,24H,2-3,7,9-14H2,1H3
InChIKeyRJJUMNKMRXVQBJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.06
Rot. Bonds5

About (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone

(2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone (PubChem CID 167988124) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone
PubChem CID167988124
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone
SMILESCCCCc1oc2ccccc2c1C(=O)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C21H28N2O3/c1-2-3-7-19-20(17-6-4-5-8-18(17)26-19)21(25)22-11-9-15(10-12-22)23-13-16(24)14-23/h4-6,8,15-16,24H,2-3,7,9-14H2,1H3
InChIKeyRJJUMNKMRXVQBJ-UHFFFAOYSA-N
XLogP3.06
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-butyl-1-benzofuran-3-yl)-[4-[3-[[1-(4-methoxyphenyl)piperidin-4-yl]-methylamino]propoxy]piperidin-1-yl]methanone
CID 167869618
2-[4-[3-[1-(2-butyl-1-benzofuran-3-carbonyl)piperidin-4-yl]oxypropyl]piperazin-1-yl]propanamide
CID 167872257
N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide
CID 167959391
7-(2-butyl-1-benzofuran-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 166366343
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995
2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 166366311
N-[1-[(E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674275
2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273423
2-[[butyl(cyclopropyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62273960
(2-butyl-1-benzofuran-3-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 141302893

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone (CID 167988124) is (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone is CCCCc1oc2ccccc2c1C(=O)N1CCC(N2CC(O)C2)CC1.
What is the InChIKey of (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is RJJUMNKMRXVQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-3-7-19-20(17-6-4-5-8-18(17)26-19)21(25)22-11-9-15(10-12-22)23-13-16(24)14-23/h4-6,8,15-16,24H,2-3,7,9-14H2,1H3.
What are the key properties of (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone?
(2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-benzofuran-3-yl)-[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167988124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).