N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide

C26H31N5O2 — CID 53135843

IUPACN-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C26H31N5O2/c1-18-9-11-19(12-10-18)23-29-26(33-30-23)22-8-5-15-27-24(22)31-16-13-20(14-17-31)25(32)28-21-6-3-2-4-7-21/h5,8-12,15,20-21H,2-4,6-7,13-14,16-17H2,1H3,(H,28,32)
InChIKeyBVHLSZYKMLKKJK-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.77
Rot. Bonds5

About N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide

N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 53135843) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID53135843
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C26H31N5O2/c1-18-9-11-19(12-10-18)23-29-26(33-30-23)22-8-5-15-27-24(22)31-16-13-20(14-17-31)25(32)28-21-6-3-2-4-7-21/h5,8-12,15,20-21H,2-4,6-7,13-14,16-17H2,1H3,(H,28,32)
InChIKeyBVHLSZYKMLKKJK-UHFFFAOYSA-N
XLogP4.77
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135810
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-cyclohexylpiperidine-4-carboxamide
CID 53135821
N-cyclopentyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135809
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53135836
N-cyclohexyl-1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135930
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882
3-(4-methylphenyl)-5-(2-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 46265181
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 53365334
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
N-[(2-methoxyphenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53365247
N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135854

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 53135843) is N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide is Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC4CCCCC4)CC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is BVHLSZYKMLKKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18-9-11-19(12-10-18)23-29-26(33-30-23)22-8-5-15-27-24(22)31-16-13-20(14-17-31)25(32)28-21-6-3-2-4-7-21/h5,8-12,15,20-21H,2-4,6-7,13-14,16-17H2,1H3,(H,28,32).
What are the key properties of N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 53135843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).