(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone

C16H21NO2 — CID 64866818

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone
SMILESCC1(C)Cc2cc(C(=O)C3CCCCN3)ccc2O1
InChIInChI=1S/C16H21NO2/c1-16(2)10-12-9-11(6-7-14(12)19-16)15(18)13-5-3-4-8-17-13/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyTYWJWONYTZYPAZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone

(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone (PubChem CID 64866818) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone
PubChem CID64866818
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone
SMILESCC1(C)Cc2cc(C(=O)C3CCCCN3)ccc2O1
InChIInChI=1S/C16H21NO2/c1-16(2)10-12-9-11(6-7-14(12)19-16)15(18)13-5-3-4-8-17-13/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyTYWJWONYTZYPAZ-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methedrone
CID 216281
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1-(benzofuran-5-yl)-N-Methylpropan-2-aMine
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1-(1-benzofuran-5-yl)-N-methylpropan-2-amine;hydrochloride
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(2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine
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(2R)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine
CID 121493473
1-(Benzofuran-5-YL)-N-methylbutan-2-amine
CID 139033209
1-Benzyl-4-[3-(2,3-dihydro-benzofuran-5-yl)-3-oxo-propyl]-1-methyl-piperidinium
CID 44320583
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxybenzamide
CID 2738881
1-(Benzofuran-2-yl)-2-propylaminopentane
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1,1'-(9H-Xanthene-2,7-diyl)bis(2-(dimethylamino)ethanone) dihydrochloride
CID 37876

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone (CID 64866818) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone is CC1(C)Cc2cc(C(=O)C3CCCCN3)ccc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone?
The InChIKey is TYWJWONYTZYPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2)10-12-9-11(6-7-14(12)19-16)15(18)13-5-3-4-8-17-13/h6-7,9,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone has a molecular weight of 259.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 64866818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).