4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C18H22N4O2 — CID 45271599

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23)
InChIKeyQTDLNCWVZXZPRJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds3

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45271599) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45271599
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23)
InChIKeyQTDLNCWVZXZPRJ-UHFFFAOYSA-N
XLogP2.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-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 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45271599) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is Cc1noc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is QTDLNCWVZXZPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45271599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).