[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone

C24H28N2O3 — CID 163379777

IUPAC[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C24H28N2O3/c1-17-23(24(27)26-13-7-10-19(15-26)25(2)3)21-14-20(11-12-22(21)29-17)28-16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3
InChIKeyQSDMSLCYSZSTIJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.49
Rot. Bonds5

About [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone

[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone (PubChem CID 163379777) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
PubChem CID163379777
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C24H28N2O3/c1-17-23(24(27)26-13-7-10-19(15-26)25(2)3)21-14-20(11-12-22(21)29-17)28-16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3
InChIKeyQSDMSLCYSZSTIJ-UHFFFAOYSA-N
XLogP4.49
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone with MolForge

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379260
1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 163379506
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
CID 163379705
5-[3-[benzyl(methyl)amino]piperidine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 45217908
tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone (CID 163379777) is [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
The InChIKey is QSDMSLCYSZSTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-23(24(27)26-13-7-10-19(15-26)25(2)3)21-14-20(11-12-22(21)29-17)28-16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone has a molecular weight of 392.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 163379777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).