[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone

C31H45NO3Si — CID 154427186

IUPAC[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4ccccc4)(C(C)(C)O[SiH2]C(C)(C)C)CC3)CCCC2)cc1
InChIInChI=1S/C31H45NO3Si/c1-28(2,3)36-35-29(4,5)31(25-12-8-7-9-13-25)20-22-32(23-21-31)27(33)30(18-10-11-19-30)24-14-16-26(34-6)17-15-24/h7-9,12-17H,10-11,18-23,36H2,1-6H3
InChIKeySTCQXRCYJLVZLM-UHFFFAOYSA-N
MW507.79 g/mol
LogP6.16
Rot. Bonds7

About [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone

[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone (PubChem CID 154427186) has the molecular formula C31H45NO3Si and a molecular weight of 507.79 g/mol. Its IUPAC name is [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
PubChem CID154427186
Molecular FormulaC31H45NO3Si
Molecular Weight507.79 g/mol
Exact Mass507.32
IUPAC Name[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4ccccc4)(C(C)(C)O[SiH2]C(C)(C)C)CC3)CCCC2)cc1
InChIInChI=1S/C31H45NO3Si/c1-28(2,3)36-35-29(4,5)31(25-12-8-7-9-13-25)20-22-32(23-21-31)27(33)30(18-10-11-19-30)24-14-16-26(34-6)17-15-24/h7-9,12-17H,10-11,18-23,36H2,1-6H3
InChIKeySTCQXRCYJLVZLM-UHFFFAOYSA-N
XLogP6.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.79
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 154253554
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 95712054
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857
1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16672353
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate
CID 20607379
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
(3S,4S)-3-hydroxy-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-4-propylpiperidine-4-carboxylic acid
CID 162628648

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The IUPAC name of [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone (CID 154427186) is [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone.
What is the SMILES notation for [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The canonical SMILES for [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone is COc1ccc(C2(C(=O)N3CCC(c4ccccc4)(C(C)(C)O[SiH2]C(C)(C)C)CC3)CCCC2)cc1.
What is the InChIKey of [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The InChIKey is STCQXRCYJLVZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45NO3Si/c1-28(2,3)36-35-29(4,5)31(25-12-8-7-9-13-25)20-22-32(23-21-31)27(33)30(18-10-11-19-30)24-14-16-26(34-6)17-15-24/h7-9,12-17H,10-11,18-23,36H2,1-6H3.
What are the key properties of [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone has a molecular weight of 507.79 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone is sourced from PubChem (CID 154427186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).