(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

C21H28N2O2 — CID 70720889

IUPAC(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc2cccc(C(=O)N3CCCC(CN4CCCCC4)C3)c2o1
InChIInChI=1S/C21H28N2O2/c1-16-13-18-8-5-9-19(20(18)25-16)21(24)23-12-6-7-17(15-23)14-22-10-3-2-4-11-22/h5,8-9,13,17H,2-4,6-7,10-12,14-15H2,1H3
InChIKeyCMPCLVJPRJJKBB-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.08
Rot. Bonds3

About (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 70720889) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID70720889
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc2cccc(C(=O)N3CCCC(CN4CCCCC4)C3)c2o1
InChIInChI=1S/C21H28N2O2/c1-16-13-18-8-5-9-19(20(18)25-16)21(24)23-12-6-7-17(15-23)14-22-10-3-2-4-11-22/h5,8-9,13,17H,2-4,6-7,10-12,14-15H2,1H3
InChIKeyCMPCLVJPRJJKBB-UHFFFAOYSA-N
XLogP4.08
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 28731167
[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 91793556
(2-aminophenyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947355
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(2-methyl-1-benzofuran-7-carbonyl)piperidine-3-carboxylic acid
CID 156583918
[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750
2-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90648862
(5-fluoro-1,3-dimethylindol-2-yl)-[(3S)-3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97147209
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126809350
[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94816596
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (CID 70720889) is (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is Cc1cc2cccc(C(=O)N3CCCC(CN4CCCCC4)C3)c2o1.
What is the InChIKey of (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is CMPCLVJPRJJKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-13-18-8-5-9-19(20(18)25-16)21(24)23-12-6-7-17(15-23)14-22-10-3-2-4-11-22/h5,8-9,13,17H,2-4,6-7,10-12,14-15H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70720889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).