4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide

C18H29ClN2OSSi — CID 118798885

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H29ClN2OSSi/c1-18(2,3)24(4,5)22-16-10-12-21(13-11-16)17(23)20-15-8-6-14(19)7-9-15/h6-9,16H,10-13H2,1-5H3,(H,20,23)
InChIKeyGYWQFBJNRXFCGC-UHFFFAOYSA-N
MW385.05 g/mol
LogP5.52
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide

4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide (PubChem CID 118798885) has the molecular formula C18H29ClN2OSSi and a molecular weight of 385.05 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide
PubChem CID118798885
Molecular FormulaC18H29ClN2OSSi
Molecular Weight385.05 g/mol
Exact Mass384.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H29ClN2OSSi/c1-18(2,3)24(4,5)22-16-10-12-21(13-11-16)17(23)20-15-8-6-14(19)7-9-15/h6-9,16H,10-13H2,1-5H3,(H,20,23)
InChIKeyGYWQFBJNRXFCGC-UHFFFAOYSA-N
XLogP5.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.05
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-pyrimidin-2-yloxypiperidine-1-carbothioamide
CID 58974012
1-N,4-N-bis(4-chlorophenyl)piperazine-1,4-dicarbothioamide
CID 4076221
methyl 1-[(4-chlorophenyl)carbamothioyl]piperidine-4-carboxylate
CID 8743307
(2R,6R)-N-(4-chlorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 892891
N-(4-tert-butylphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
CID 123480278
4-[(4-chlorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carbothioamide
CID 19289652
(2S,6S)-N-(4-chlorophenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 40642609
N-(4-chlorophenyl)-2-methylazepane-1-carbothioamide
CID 78962558
N-(3-chloro-4-methylphenyl)-4-hydroxypiperidine-1-carbothioamide
CID 8677257
N-(3-chloro-4-fluorophenyl)-4-methylpiperazine-1-carbothioamide
CID 4225645
N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
CID 942767
4-methyl-N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 3261166

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide (CID 118798885) is 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide is CC(C)(C)[Si](C)(C)OC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide?
The InChIKey is GYWQFBJNRXFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2OSSi/c1-18(2,3)24(4,5)22-16-10-12-21(13-11-16)17(23)20-15-8-6-14(19)7-9-15/h6-9,16H,10-13H2,1-5H3,(H,20,23).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide?
4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide has a molecular weight of 385.05 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 118798885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).