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

C22H31FN4O2Si — CID 155632677

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C22H31FN4O2Si/c1-22(2,3)30(4,5)29-19-10-11-20(24-16-19)25-21(28)27-14-12-26(13-15-27)18-8-6-17(23)7-9-18/h6-11,16H,12-15H2,1-5H3,(H,24,25,28)
InChIKeyRJQPTOULWITKIB-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.96
Rot. Bonds4

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

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 155632677) has the molecular formula C22H31FN4O2Si and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID155632677
Molecular FormulaC22H31FN4O2Si
Molecular Weight430.60 g/mol
Exact Mass430.22
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C22H31FN4O2Si/c1-22(2,3)30(4,5)29-19-10-11-20(24-16-19)25-21(28)27-14-12-26(13-15-27)18-8-6-17(23)7-9-18/h6-11,16H,12-15H2,1-5H3,(H,24,25,28)
InChIKeyRJQPTOULWITKIB-UHFFFAOYSA-N
XLogP4.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.96
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-cyanophenyl)piperazine-1-carboxamide
CID 155632630
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-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-(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-(5-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxamide;1-(5-chloro-2-pyridinyl)-1,4-diazepane;(4-fluorophenyl) N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]carbamate
CID 158854384
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-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride
CID 162236291
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide
CID 155632621

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 155632677) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is RJQPTOULWITKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2Si/c1-22(2,3)30(4,5)29-19-10-11-20(24-16-19)25-21(28)27-14-12-26(13-15-27)18-8-6-17(23)7-9-18/h6-11,16H,12-15H2,1-5H3,(H,24,25,28).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 4.96, 4 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)piperazine-1-carboxamide is sourced from PubChem (CID 155632677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).