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'}

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-N-hydroxypiperidine-2-carboxamide
CID 22615791
[4-(4-chlorophenyl)piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 110281486
tert-butyl (3R)-4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate
CID 18727276
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide
CID 155632621
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
CID 70111198
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55969919
1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61113715
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
1-(4-chloro-2-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305063
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
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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).