5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C17H22ClN3O2 — CID 95149279

IUPAC5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(CCCOc3cccc(Cl)c3)C2)n1
InChIInChI=1S/C17H22ClN3O2/c1-13-19-17(23-20-13)14-5-3-8-21(12-14)9-4-10-22-16-7-2-6-15(18)11-16/h2,6-7,11,14H,3-5,8-10,12H2,1H3/t14-/m1/s1
InChIKeyKOPLPDJWYUYXSA-CQSZACIVSA-N
MW335.83 g/mol
LogP3.68
Rot. Bonds6

About 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95149279) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID95149279
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(CCCOc3cccc(Cl)c3)C2)n1
InChIInChI=1S/C17H22ClN3O2/c1-13-19-17(23-20-13)14-5-3-8-21(12-14)9-4-10-22-16-7-2-6-15(18)11-16/h2,6-7,11,14H,3-5,8-10,12H2,1H3/t14-/m1/s1
InChIKeyKOPLPDJWYUYXSA-CQSZACIVSA-N
XLogP3.68
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128986563
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
5-[(3S)-1-[3-(4-methylphenoxy)propyl]pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 95829977
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346756
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 95149279) is 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCN(CCCOc3cccc(Cl)c3)C2)n1.
What is the InChIKey of 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is KOPLPDJWYUYXSA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-13-19-17(23-20-13)14-5-3-8-21(12-14)9-4-10-22-16-7-2-6-15(18)11-16/h2,6-7,11,14H,3-5,8-10,12H2,1H3/t14-/m1/s1.
What are the key properties of 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 335.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95149279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).