[7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane

C22H35NO2Si — CID 68850037

IUPAC[7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane
SMILESCOCCCC[C@H](c1cccc2cc([Si](C)(C)C)oc12)[C@H]1CCCNC1
InChIInChI=1S/C22H35NO2Si/c1-24-14-6-5-11-19(18-10-8-13-23-16-18)20-12-7-9-17-15-21(25-22(17)20)26(2,3)4/h7,9,12,15,18-19,23H,5-6,8,10-11,13-14,16H2,1-4H3/t18-,19-/m0/s1
InChIKeyPWQFEHYQNAWCQX-OALUTQOASA-N
MW373.61 g/mol
LogP4.88
Rot. Bonds8

About [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane

[7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane (PubChem CID 68850037) has the molecular formula C22H35NO2Si and a molecular weight of 373.61 g/mol. Its IUPAC name is [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane
PubChem CID68850037
Molecular FormulaC22H35NO2Si
Molecular Weight373.61 g/mol
Exact Mass373.24
IUPAC Name[7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane
SMILESCOCCCC[C@H](c1cccc2cc([Si](C)(C)C)oc12)[C@H]1CCCNC1
InChIInChI=1S/C22H35NO2Si/c1-24-14-6-5-11-19(18-10-8-13-23-16-18)20-12-7-9-17-15-21(25-22(17)20)26(2,3)4/h7,9,12,15,18-19,23H,5-6,8,10-11,13-14,16H2,1-4H3/t18-,19-/m0/s1
InChIKeyPWQFEHYQNAWCQX-OALUTQOASA-N
XLogP4.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(1S)-5-methoxy-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpentyl]piperidine
CID 68990421
3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine
CID 67191204
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol
CID 114724344
3-[1-[2-methyl-3-(1-methylcyclohexyl)oxyphenyl]heptyl]piperidine
CID 143558334
(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 59382913
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 62046555
(3R)-3-[(R)-[2-(2-cyclopropylethynyl)phenyl]-(3-methoxypropoxy)methyl]piperidine;(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-quinolin-8-ylpentan-1-ol
CID 158206424
N-(3-methoxypropyl)-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81045951
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
(1S)-5-methoxy-1-piperidin-3-yl-1-(2-trimethylsilyl-1-benzothiophen-4-yl)pentan-1-ol
CID 67189286
(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol
CID 157458610

Frequently Asked Questions

What is the IUPAC name of [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane?
The IUPAC name of [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane (CID 68850037) is [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane.
What is the SMILES notation for [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane?
The canonical SMILES for [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane is COCCCC[C@H](c1cccc2cc([Si](C)(C)C)oc12)[C@H]1CCCNC1.
What is the InChIKey of [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane?
The InChIKey is PWQFEHYQNAWCQX-OALUTQOASA-N. The full InChI is InChI=1S/C22H35NO2Si/c1-24-14-6-5-11-19(18-10-8-13-23-16-18)20-12-7-9-17-15-21(25-22(17)20)26(2,3)4/h7,9,12,15,18-19,23H,5-6,8,10-11,13-14,16H2,1-4H3/t18-,19-/m0/s1.
What are the key properties of [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane?
[7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane has a molecular weight of 373.61 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]pentyl]-1-benzofuran-2-yl]-trimethylsilane is sourced from PubChem (CID 68850037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).