piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate

C23H32ClN3O3Si — CID 175066216

IUPACpiperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N(C(=O)OC2CCNCC2)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C23H32ClN3O3Si/c1-23(2,3)31(4,5)30-20-10-11-21(26-16-20)27(18-8-6-17(24)7-9-18)22(28)29-19-12-14-25-15-13-19/h6-11,16,19,25H,12-15H2,1-5H3
InChIKeyVYKKNAUUVTWWPA-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.15
Rot. Bonds5

About piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate

piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate (PubChem CID 175066216) has the molecular formula C23H32ClN3O3Si and a molecular weight of 462.07 g/mol. Its IUPAC name is piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate
PubChem CID175066216
Molecular FormulaC23H32ClN3O3Si
Molecular Weight462.07 g/mol
Exact Mass461.19
IUPAC Namepiperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N(C(=O)OC2CCNCC2)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C23H32ClN3O3Si/c1-23(2,3)31(4,5)30-20-10-11-21(26-16-20)27(18-8-6-17(24)7-9-18)22(28)29-19-12-14-25-15-13-19/h6-11,16,19,25H,12-15H2,1-5H3
InChIKeyVYKKNAUUVTWWPA-UHFFFAOYSA-N
XLogP6.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.15
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-chlorophenyl)piperidine-1-carboxamide;4-(4-chlorophenyl)piperidine;(4-fluorophenyl) N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]carbamate
CID 159741683
piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
CID 87941257
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(5-chloro-2-pyridinyl)piperidine-4-sulfonamide;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]piperidine-4-sulfonamide;5-chloro-2-fluoropyridine
CID 162171268
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-1-(4-chlorophenyl)piperidine-4-sulfonamide
CID 155632621
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119444328
N-(5-chloro-2-pyridinyl)-2-methyl-N-piperidin-4-ylpropanamide;2,2,2-trifluoroacetic acid
CID 174614330
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
2-[(4-chlorophenoxy)methyl]pyrrolidine-3-carboxylic acid
CID 82363503
tert-butyl N-(3-chloro-4-fluorophenyl)-N-[4-(piperidin-4-ylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamate
CID 67016072
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
N-(5-chloro-2-pyridinyl)-3-cyclohexyl-N-phenylpropanamide
CID 166763712

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate?
The IUPAC name of piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate (CID 175066216) is piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate.
What is the SMILES notation for piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate?
The canonical SMILES for piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate is CC(C)(C)[Si](C)(C)Oc1ccc(N(C(=O)OC2CCNCC2)c2ccc(Cl)cc2)nc1.
What is the InChIKey of piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate?
The InChIKey is VYKKNAUUVTWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3Si/c1-23(2,3)31(4,5)30-20-10-11-21(26-16-20)27(18-8-6-17(24)7-9-18)22(28)29-19-12-14-25-15-13-19/h6-11,16,19,25H,12-15H2,1-5H3.
What are the key properties of piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate?
piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate has a molecular weight of 462.07 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 175066216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).