N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide

C23H31N5O2Si — CID 155632630

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)nc1
InChIInChI=1S/C23H31N5O2Si/c1-23(2,3)31(4,5)30-20-10-11-21(25-17-20)26-22(29)28-14-12-27(13-15-28)19-8-6-18(16-24)7-9-19/h6-11,17H,12-15H2,1-5H3,(H,25,26,29)
InChIKeyWSKJCGWMGAQKEB-UHFFFAOYSA-N
MW437.62 g/mol
LogP4.69
Rot. Bonds4

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide (PubChem CID 155632630) has the molecular formula C23H31N5O2Si and a molecular weight of 437.62 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
PubChem CID155632630
Molecular FormulaC23H31N5O2Si
Molecular Weight437.62 g/mol
Exact Mass437.22
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)nc1
InChIInChI=1S/C23H31N5O2Si/c1-23(2,3)31(4,5)30-20-10-11-21(25-17-20)26-22(29)28-14-12-27(13-15-28)19-8-6-18(16-24)7-9-19/h6-11,17H,12-15H2,1-5H3,(H,25,26,29)
InChIKeyWSKJCGWMGAQKEB-UHFFFAOYSA-N
XLogP4.69
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.62
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 155632598
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]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 159381922
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 151857612
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride
CID 159296515
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride
CID 162236291
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide (CID 155632630) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is WSKJCGWMGAQKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2Si/c1-23(2,3)31(4,5)30-20-10-11-21(25-17-20)26-22(29)28-14-12-27(13-15-28)19-8-6-18(16-24)7-9-19/h6-11,17H,12-15H2,1-5H3,(H,25,26,29).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 437.62 g/mol, XLogP of 4.69, 4 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]-4-(4-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 155632630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).