morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride

C17H23Cl2N5O3 — CID 119870816

IUPACmorpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1COCCN1)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C17H21N5O3.2ClH/c23-17(14-11-24-10-7-19-14)22-8-4-12(5-9-22)16-20-15(21-25-16)13-3-1-2-6-18-13;;/h1-3,6,12,14,19H,4-5,7-11H2;2*1H
InChIKeyWNWCUYSBWWEWHC-UHFFFAOYSA-N
MW416.31 g/mol
LogP1.67
Rot. Bonds3

About morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride

morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119870816) has the molecular formula C17H23Cl2N5O3 and a molecular weight of 416.31 g/mol. Its IUPAC name is morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namemorpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119870816
Molecular FormulaC17H23Cl2N5O3
Molecular Weight416.31 g/mol
Exact Mass415.12
IUPAC Namemorpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1COCCN1)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C17H21N5O3.2ClH/c23-17(14-11-24-10-7-19-14)22-8-4-12(5-9-22)16-20-15(21-25-16)13-3-1-2-6-18-13;;/h1-3,6,12,14,19H,4-5,7-11H2;2*1H
InChIKeyWNWCUYSBWWEWHC-UHFFFAOYSA-N
XLogP1.67
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
[(1S,2R)-2-aminocyclopentyl]-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 124699474
3,4-dihydro-2H-chromen-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154833769
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678
(2-fluorophenyl)-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110235442
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
6-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]diazinan-3-one
CID 75271214
2-azido-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24802761

Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride (CID 119870816) is morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(C1COCCN1)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is WNWCUYSBWWEWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3.2ClH/c23-17(14-11-24-10-7-19-14)22-8-4-12(5-9-22)16-20-15(21-25-16)13-3-1-2-6-18-13;;/h1-3,6,12,14,19H,4-5,7-11H2;2*1H.
What are the key properties of morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride?
morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 416.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119870816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).