N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide

C24H36N4O2Si — CID 159381922

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(N2CCN(CC(=O)Nc3ccc(O[Si](C)(C)C(C)(C)C)cn3)CC2)cc1
InChIInChI=1S/C24H36N4O2Si/c1-19-7-9-20(10-8-19)28-15-13-27(14-16-28)18-23(29)26-22-12-11-21(17-25-22)30-31(5,6)24(2,3)4/h7-12,17H,13-16,18H2,1-6H3,(H,25,26,29)
InChIKeyUVITVMAJCLXVHN-UHFFFAOYSA-N
MW440.66 g/mol
LogP4.53
Rot. Bonds6

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 159381922) has the molecular formula C24H36N4O2Si and a molecular weight of 440.66 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
PubChem CID159381922
Molecular FormulaC24H36N4O2Si
Molecular Weight440.66 g/mol
Exact Mass440.26
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(N2CCN(CC(=O)Nc3ccc(O[Si](C)(C)C(C)(C)C)cn3)CC2)cc1
InChIInChI=1S/C24H36N4O2Si/c1-19-7-9-20(10-8-19)28-15-13-27(14-16-28)18-23(29)26-22-12-11-21(17-25-22)30-31(5,6)24(2,3)4/h7-12,17H,13-16,18H2,1-6H3,(H,25,26,29)
InChIKeyUVITVMAJCLXVHN-UHFFFAOYSA-N
XLogP4.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 155632677
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(5-methyl-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 163896529
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 155632630
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 155632598
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 161263734
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride
CID 159942078
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 151857612
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide
CID 155632621
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
CID 135126584

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide (CID 159381922) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide is Cc1ccc(N2CCN(CC(=O)Nc3ccc(O[Si](C)(C)C(C)(C)C)cn3)CC2)cc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is UVITVMAJCLXVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2Si/c1-19-7-9-20(10-8-19)28-15-13-27(14-16-28)18-23(29)26-22-12-11-21(17-25-22)30-31(5,6)24(2,3)4/h7-12,17H,13-16,18H2,1-6H3,(H,25,26,29).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 440.66 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 159381922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).