N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C20H25ClN4O3 — CID 112822319

IUPACN-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccc(Cl)cc2C(=O)N2C(C)CCCC2C)n1
InChIInChI=1S/C20H25ClN4O3/c1-12-5-4-6-13(2)25(12)20(27)16-11-15(21)7-8-17(16)23-18(26)9-10-19-22-14(3)24-28-19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,26)
InChIKeyWLPHVIJHTJBLCD-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.01
Rot. Bonds5

About N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 112822319) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID112822319
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC NameN-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccc(Cl)cc2C(=O)N2C(C)CCCC2C)n1
InChIInChI=1S/C20H25ClN4O3/c1-12-5-4-6-13(2)25(12)20(27)16-11-15(21)7-8-17(16)23-18(26)9-10-19-22-14(3)24-28-19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,26)
InChIKeyWLPHVIJHTJBLCD-UHFFFAOYSA-N
XLogP4.01
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide 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-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 112822319) is N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2ccc(Cl)cc2C(=O)N2C(C)CCCC2C)n1.
What is the InChIKey of N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is WLPHVIJHTJBLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-12-5-4-6-13(2)25(12)20(27)16-11-15(21)7-8-17(16)23-18(26)9-10-19-22-14(3)24-28-19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,26).
What are the key properties of N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 404.90 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 112822319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).