4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride

C18H25Cl2N5O2 — CID 171669080

IUPAC4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
SMILESCl.Clc1ncccc1-c1noc(CN2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C18H24ClN5O2.ClH/c19-17-15(4-1-5-20-17)18-21-16(26-22-18)13-24-6-2-3-14(12-24)11-23-7-9-25-10-8-23;/h1,4-5,14H,2-3,6-13H2;1H
InChIKeySNRDRUUSKMFFFG-UHFFFAOYSA-N
MW414.34 g/mol
LogP2.75
Rot. Bonds5

About 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride

4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride (PubChem CID 171669080) has the molecular formula C18H25Cl2N5O2 and a molecular weight of 414.34 g/mol. Its IUPAC name is 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
PubChem CID171669080
Molecular FormulaC18H25Cl2N5O2
Molecular Weight414.34 g/mol
Exact Mass413.14
IUPAC Name4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
SMILESCl.Clc1ncccc1-c1noc(CN2CCCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C18H24ClN5O2.ClH/c19-17-15(4-1-5-20-17)18-21-16(26-22-18)13-24-6-2-3-14(12-24)11-23-7-9-25-10-8-23;/h1,4-5,14H,2-3,6-13H2;1H
InChIKeySNRDRUUSKMFFFG-UHFFFAOYSA-N
XLogP2.75
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine
CID 6486002
1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)azepan-4-ol;hydrochloride
CID 171669079
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)azepan-4-ol
CID 43818835
(4R,4aS,8aS)-1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
CID 51689893
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62061668
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62371397
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120728336
5-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 163352717
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43933638
3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 92591772
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
The IUPAC name of 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride (CID 171669080) is 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride is Cl.Clc1ncccc1-c1noc(CN2CCCC(CN3CCOCC3)C2)n1.
What is the InChIKey of 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
The InChIKey is SNRDRUUSKMFFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2.ClH/c19-17-15(4-1-5-20-17)18-21-16(26-22-18)13-24-6-2-3-14(12-24)11-23-7-9-25-10-8-23;/h1,4-5,14H,2-3,6-13H2;1H.
What are the key properties of 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride has a molecular weight of 414.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 171669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).