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

C20H26N4O3 — CID 53166990

IUPACN-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)o2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-17-8-6-15(7-9-17)19-22-23-20(27-19)24-12-10-14(11-13-24)18(25)21-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,21,25)
InChIKeyQYPNSROQYJZCMU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.02
Rot. Bonds5

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

N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166990) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166990
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)o2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-17-8-6-15(7-9-17)19-22-23-20(27-19)24-12-10-14(11-13-24)18(25)21-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,21,25)
InChIKeyQYPNSROQYJZCMU-UHFFFAOYSA-N
XLogP3.02
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166990) is N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCC4)CC3)o2)cc1.
What is the InChIKey of N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is QYPNSROQYJZCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-8-6-15(7-9-17)19-22-23-20(27-19)24-12-10-14(11-13-24)18(25)21-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,21,25).
What are the key properties of N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).