1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide

C25H28ClN5O2 — CID 53135821

IUPAC1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C25H28ClN5O2/c26-19-10-8-17(9-11-19)22-29-25(33-30-22)21-7-4-14-27-23(21)31-15-12-18(13-16-31)24(32)28-20-5-2-1-3-6-20/h4,7-11,14,18,20H,1-3,5-6,12-13,15-16H2,(H,28,32)
InChIKeyCVRFJXBQHALPFC-UHFFFAOYSA-N
MW465.99 g/mol
LogP5.12
Rot. Bonds5

About 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide

1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 53135821) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
PubChem CID53135821
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C25H28ClN5O2/c26-19-10-8-17(9-11-19)22-29-25(33-30-22)21-7-4-14-27-23(21)31-15-12-18(13-16-31)24(32)28-20-5-2-1-3-6-20/h4,7-11,14,18,20H,1-3,5-6,12-13,15-16H2,(H,28,32)
InChIKeyCVRFJXBQHALPFC-UHFFFAOYSA-N
XLogP5.12
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.99
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843
N-cyclohexyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135810
N-cyclopentyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135809
N-cyclohexyl-1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135930
N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135823
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53135836
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-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cycloheptylpiperidine-4-carboxamide
CID 38157346
N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 93071770
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53365309

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide (CID 53135821) is 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is CVRFJXBQHALPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c26-19-10-8-17(9-11-19)22-29-25(33-30-22)21-7-4-14-27-23(21)31-15-12-18(13-16-31)24(32)28-20-5-2-1-3-6-20/h4,7-11,14,18,20H,1-3,5-6,12-13,15-16H2,(H,28,32).
What are the key properties of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide?
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 465.99 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 53135821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).