1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine

C18H24N2O — CID 77083392

IUPAC1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine
SMILESCc1c(CN2CC(N3CCCCC3)C2)oc2ccccc12
InChIInChI=1S/C18H24N2O/c1-14-16-7-3-4-8-17(16)21-18(14)13-19-11-15(12-19)20-9-5-2-6-10-20/h3-4,7-8,15H,2,5-6,9-13H2,1H3
InChIKeyJHQKCSMFEKODHA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.41
Rot. Bonds3

About 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine

1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine (PubChem CID 77083392) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine
PubChem CID77083392
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine
SMILESCc1c(CN2CC(N3CCCCC3)C2)oc2ccccc12
InChIInChI=1S/C18H24N2O/c1-14-16-7-3-4-8-17(16)21-18(14)13-19-11-15(12-19)20-9-5-2-6-10-20/h3-4,7-8,15H,2,5-6,9-13H2,1H3
InChIKeyJHQKCSMFEKODHA-UHFFFAOYSA-N
XLogP3.41
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol
CID 77078910
3-[(3-methyl-1-benzofuran-2-yl)methyl]-9-(1-methylimidazol-2-yl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 46967614
N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 56747250
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N'-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboximidamide
CID 111814282
1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138809629
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
1-[1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl]piperidine
CID 77084530
(3S)-N,1-dimethyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-amine
CID 124680311
(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124854223
(1R,5R)-9-(2,4-dimethoxypyrimidin-5-yl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 98132308
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine?
The IUPAC name of 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine (CID 77083392) is 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine?
The canonical SMILES for 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine is Cc1c(CN2CC(N3CCCCC3)C2)oc2ccccc12.
What is the InChIKey of 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine?
The InChIKey is JHQKCSMFEKODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-16-7-3-4-8-17(16)21-18(14)13-19-11-15(12-19)20-9-5-2-6-10-20/h3-4,7-8,15H,2,5-6,9-13H2,1H3.
What are the key properties of 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine?
1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine has a molecular weight of 284.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine is sourced from PubChem (CID 77083392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).