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

C23H33FN4O2Si — CID 151857612

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H33FN4O2Si/c1-23(2,3)31(4,5)30-20-10-11-21(25-16-20)26-22(29)28-14-12-27(13-15-28)17-18-6-8-19(24)9-7-18/h6-11,16H,12-15,17H2,1-5H3,(H,25,26,29)
InChIKeySKADSVOAIZJVJE-UHFFFAOYSA-N
MW444.63 g/mol
LogP4.95
Rot. Bonds5

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

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 151857612) has the molecular formula C23H33FN4O2Si and a molecular weight of 444.63 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID151857612
Molecular FormulaC23H33FN4O2Si
Molecular Weight444.63 g/mol
Exact Mass444.24
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H33FN4O2Si/c1-23(2,3)31(4,5)30-20-10-11-21(25-16-20)26-22(29)28-14-12-27(13-15-28)17-18-6-8-19(24)9-7-18/h6-11,16H,12-15,17H2,1-5H3,(H,25,26,29)
InChIKeySKADSVOAIZJVJE-UHFFFAOYSA-N
XLogP4.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.63
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)piperidine-1-carboxamide;4-(4-chlorophenyl)piperidine;(4-fluorophenyl) N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]carbamate
CID 159741683
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-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
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-(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
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
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 151857612) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is SKADSVOAIZJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O2Si/c1-23(2,3)31(4,5)30-20-10-11-21(25-16-20)26-22(29)28-14-12-27(13-15-28)17-18-6-8-19(24)9-7-18/h6-11,16H,12-15,17H2,1-5H3,(H,25,26,29).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 444.63 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 151857612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).