N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide

C22H37ClN4O4SSi — CID 22615606

IUPACN-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)ONC(=O)C1CCCCN1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H37ClN4O4SSi/c1-22(2,3)33(4,5)31-24-21(28)20-8-6-7-13-27(20)32(29,30)26-16-14-25(15-17-26)19-11-9-18(23)10-12-19/h9-12,20H,6-8,13-17H2,1-5H3,(H,24,28)
InChIKeySHYZIYOXWYYERV-UHFFFAOYSA-N
MW517.17 g/mol
LogP3.61
Rot. Bonds6

About N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide

N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide (PubChem CID 22615606) has the molecular formula C22H37ClN4O4SSi and a molecular weight of 517.17 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide
PubChem CID22615606
Molecular FormulaC22H37ClN4O4SSi
Molecular Weight517.17 g/mol
Exact Mass516.20
IUPAC NameN-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)ONC(=O)C1CCCCN1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H37ClN4O4SSi/c1-22(2,3)33(4,5)31-24-21(28)20-8-6-7-13-27(20)32(29,30)26-16-14-25(15-17-26)19-11-9-18(23)10-12-19/h9-12,20H,6-8,13-17H2,1-5H3,(H,24,28)
InChIKeySHYZIYOXWYYERV-UHFFFAOYSA-N
XLogP3.61
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide (CID 22615606) is N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide is CC(C)(C)[Si](C)(C)ONC(=O)C1CCCCN1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide?
The InChIKey is SHYZIYOXWYYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37ClN4O4SSi/c1-22(2,3)33(4,5)31-24-21(28)20-8-6-7-13-27(20)32(29,30)26-16-14-25(15-17-26)19-11-9-18(23)10-12-19/h9-12,20H,6-8,13-17H2,1-5H3,(H,24,28).
What are the key properties of N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide?
N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide has a molecular weight of 517.17 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 22615606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).