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

C21H28N4O3 — CID 53166986

IUPACN-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C21H28N4O3/c1-27-18-9-7-16(8-10-18)20-23-24-21(28-20)25-13-11-15(12-14-25)19(26)22-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,22,26)
InChIKeyGPNBWAQNGRHMPE-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.41
Rot. Bonds5

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

N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166986) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166986
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C21H28N4O3/c1-27-18-9-7-16(8-10-18)20-23-24-21(28-20)25-13-11-15(12-14-25)19(26)22-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,22,26)
InChIKeyGPNBWAQNGRHMPE-UHFFFAOYSA-N
XLogP3.41
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166986) is N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)o2)cc1.
What is the InChIKey of N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is GPNBWAQNGRHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-18-9-7-16(8-10-18)20-23-24-21(28-20)25-13-11-15(12-14-25)19(26)22-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,22,26).
What are the key properties of N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).