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

C22H30N4O3 — CID 53166992

IUPACN-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCCC4)CC3)o2)cc1
InChIInChI=1S/C22H30N4O3/c1-28-19-10-8-17(9-11-19)21-24-25-22(29-21)26-14-12-16(13-15-26)20(27)23-18-6-4-2-3-5-7-18/h8-11,16,18H,2-7,12-15H2,1H3,(H,23,27)
InChIKeyLRZWQHOEXBEJFU-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.80
Rot. Bonds5

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

N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166992) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166992
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCCC4)CC3)o2)cc1
InChIInChI=1S/C22H30N4O3/c1-28-19-10-8-17(9-11-19)21-24-25-22(29-21)26-14-12-16(13-15-26)20(27)23-18-6-4-2-3-5-7-18/h8-11,16,18H,2-7,12-15H2,1H3,(H,23,27)
InChIKeyLRZWQHOEXBEJFU-UHFFFAOYSA-N
XLogP3.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166992) is N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NC4CCCCCC4)CC3)o2)cc1.
What is the InChIKey of N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is LRZWQHOEXBEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-28-19-10-8-17(9-11-19)21-24-25-22(29-21)26-14-12-16(13-15-26)20(27)23-18-6-4-2-3-5-7-18/h8-11,16,18H,2-7,12-15H2,1H3,(H,23,27).
What are the key properties of N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).