tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate

C23H26ClN5O3 — CID 25264785

IUPACtert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C23H26ClN5O3/c1-23(2,3)31-22(30)26-17-9-12-29(13-10-17)20-18(8-5-11-25-20)21-27-19(28-32-21)15-6-4-7-16(24)14-15/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H,26,30)
InChIKeyPBUIQLWJDLJMGJ-UHFFFAOYSA-N
MW455.95 g/mol
LogP4.95
Rot. Bonds4

About tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 25264785) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID25264785
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Nametert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C23H26ClN5O3/c1-23(2,3)31-22(30)26-17-9-12-29(13-10-17)20-18(8-5-11-25-20)21-27-19(28-32-21)15-6-4-7-16(24)14-15/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H,26,30)
InChIKeyPBUIQLWJDLJMGJ-UHFFFAOYSA-N
XLogP4.95
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 143793994
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53365309
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 53032140
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53135885
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
CID 53135821
N-cyclohexyl-1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135930
N-cyclopentyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135809
N-cyclohexyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135810
1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843
3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
CID 143794018
N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135823

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate (CID 25264785) is tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is PBUIQLWJDLJMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-23(2,3)31-22(30)26-17-9-12-29(13-10-17)20-18(8-5-11-25-20)21-27-19(28-32-21)15-6-4-7-16(24)14-15/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H,26,30).
What are the key properties of tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 455.95 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 25264785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).