1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide

C27H32N2O4 — CID 163379506

IUPAC1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC(C(=O)NCC(C)C)C1
InChIInChI=1S/C27H32N2O4/c1-18(2)15-28-26(30)21-10-7-13-29(16-21)27(31)25-19(3)33-24-12-11-22(14-23(24)25)32-17-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,18,21H,7,10,13,15-17H2,1-3H3,(H,28,30)
InChIKeyXIMAAGYDGLPEEP-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.94
Rot. Bonds7

About 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide

1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 163379506) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID163379506
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC(C(=O)NCC(C)C)C1
InChIInChI=1S/C27H32N2O4/c1-18(2)15-28-26(30)21-10-7-13-29(16-21)27(31)25-19(3)33-24-12-11-22(14-23(24)25)32-17-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,18,21H,7,10,13,15-17H2,1-3H3,(H,28,30)
InChIKeyXIMAAGYDGLPEEP-UHFFFAOYSA-N
XLogP4.94
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide with MolForge

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379777
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379260
tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379677
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
CID 163379705
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide (CID 163379506) is 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCCC(C(=O)NCC(C)C)C1.
What is the InChIKey of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is XIMAAGYDGLPEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-18(2)15-28-26(30)21-10-7-13-29(16-21)27(31)25-19(3)33-24-12-11-22(14-23(24)25)32-17-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,18,21H,7,10,13,15-17H2,1-3H3,(H,28,30).
What are the key properties of 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide?
1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 448.56 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 163379506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).