(1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C21H27N3O2 — CID 71652337

IUPAC(1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)CCCCC1
InChIInChI=1S/C21H27N3O2/c1-21(12-6-3-7-13-21)20(25)24-14-8-11-17(15-24)19-22-18(23-26-19)16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3/t17-/m0/s1
InChIKeyRWFWXEMXIWNEDF-KRWDZBQOSA-N
MW353.47 g/mol
LogP4.41
Rot. Bonds3

About (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 71652337) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID71652337
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)CCCCC1
InChIInChI=1S/C21H27N3O2/c1-21(12-6-3-7-13-21)20(25)24-14-8-11-17(15-24)19-22-18(23-26-19)16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3/t17-/m0/s1
InChIKeyRWFWXEMXIWNEDF-KRWDZBQOSA-N
XLogP4.41
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone 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 (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 71652337) is (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is RWFWXEMXIWNEDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(12-6-3-7-13-21)20(25)24-14-8-11-17(15-24)19-22-18(23-26-19)16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3/t17-/m0/s1.
What are the key properties of (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71652337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).