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

C52H69Cl2FN6O5Si2 — CID 159741683

IUPACN-[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
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)nc1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)Oc2ccc(F)cc2)nc1.Clc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C23H32ClN3O2Si.C18H23FN2O3Si.C11H14ClN/c1-23(2,3)30(4,5)29-20-10-11-21(25-16-20)26-22(28)27-14-12-18(13-15-27)17-6-8-19(24)9-7-17;1-18(2,3)25(4,5)24-15-10-11-16(20-12-15)21-17(22)23-14-8-6-13(19)7-9-14;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h6-11,16,18H,12-15H2,1-5H3,(H,25,26,28);6-12H,1-5H3,(H,20,21,22);1-4,10,13H,5-8H2
InChIKeyNCNQCJAMNGKLDP-UHFFFAOYSA-N
MW1004.24 g/mol
LogP14.55
Rot. Bonds9

About 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

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 (PubChem CID 159741683) has the molecular formula C52H69Cl2FN6O5Si2 and a molecular weight of 1004.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159741683
Molecular FormulaC52H69Cl2FN6O5Si2
Molecular Weight1004.24 g/mol
Exact Mass1002.42
IUPAC NameN-[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
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)nc1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)Oc2ccc(F)cc2)nc1.Clc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C23H32ClN3O2Si.C18H23FN2O3Si.C11H14ClN/c1-23(2,3)30(4,5)29-20-10-11-21(25-16-20)26-22(28)27-14-12-18(13-15-27)17-6-8-19(24)9-7-17;1-18(2,3)25(4,5)24-15-10-11-16(20-12-15)21-17(22)23-14-8-6-13(19)7-9-14;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h6-11,16,18H,12-15H2,1-5H3,(H,25,26,28);6-12H,1-5H3,(H,20,21,22);1-4,10,13H,5-8H2
InChIKeyNCNQCJAMNGKLDP-UHFFFAOYSA-N
XLogP14.55
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.24
LogP ≤ 514.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)nc1.CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)Oc2ccc(F)cc2)nc1.Clc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 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?
The InChIKey is NCNQCJAMNGKLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2Si.C18H23FN2O3Si.C11H14ClN/c1-23(2,3)30(4,5)29-20-10-11-21(25-16-20)26-22(28)27-14-12-18(13-15-27)17-6-8-19(24)9-7-17;1-18(2,3)25(4,5)24-15-10-11-16(20-12-15)21-17(22)23-14-8-6-13(19)7-9-14;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h6-11,16,18H,12-15H2,1-5H3,(H,25,26,28);6-12H,1-5H3,(H,20,21,22);1-4,10,13H,5-8H2.
What are the key properties of 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?
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 has a molecular weight of 1004.24 g/mol, XLogP of 14.55, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159741683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).