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

C21H23N5O2 — CID 53201097

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccn4)CC3)o2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-5-7-17(8-6-15)20-24-25-21(28-20)26-12-9-16(10-13-26)19(27)23-14-18-4-2-3-11-22-18/h2-8,11,16H,9-10,12-14H2,1H3,(H,23,27)
InChIKeySXOFKYXUVHZOAU-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.97
Rot. Bonds5

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

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53201097) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53201097
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccn4)CC3)o2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-5-7-17(8-6-15)20-24-25-21(28-20)26-12-9-16(10-13-26)19(27)23-14-18-4-2-3-11-22-18/h2-8,11,16H,9-10,12-14H2,1H3,(H,23,27)
InChIKeySXOFKYXUVHZOAU-UHFFFAOYSA-N
XLogP2.97
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(propan-2-yl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 15949471
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
N-(4-tert-butylphenyl)-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644873
N-[4-(propan-2-yl)phenyl]-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644874
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644882
N-(3-methylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644889
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
(S)-N1-(5-(isoquinolin-6-yl)-1,3,4-oxadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 25175218
4-cyano-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4097143
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 16189789
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042288

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 53201097) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccn4)CC3)o2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SXOFKYXUVHZOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-5-7-17(8-6-15)20-24-25-21(28-20)26-12-9-16(10-13-26)19(27)23-14-18-4-2-3-11-22-18/h2-8,11,16H,9-10,12-14H2,1H3,(H,23,27).
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53201097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).