(3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone

C22H25NO2 — CID 24766011

IUPAC(3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone
SMILESCC1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
InChIKeyZEMCXAZYSOBAGF-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.21
Rot. Bonds3

About (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone

(3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone (PubChem CID 24766011) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone
PubChem CID24766011
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone
SMILESCC1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
InChIKeyZEMCXAZYSOBAGF-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Snc 80
CID 123924
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
A-349821 free base
CID 9954017
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
N,N-diethyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 53257621
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
Morpholino(3-phenoxyphenyl)methanone
CID 6465484

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone (CID 24766011) is (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone is CC1(Cc2ccccc2)COc2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone?
The InChIKey is ZEMCXAZYSOBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3.
What are the key properties of (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone?
(3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone has a molecular weight of 335.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-3-methyl-2H-1-benzofuran-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 24766011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).