[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride

C17H31Cl2N5O3 — CID 120646466

IUPAC[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCOCC1(C(=O)N2CCN(C(C)c3nc(C)no3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H29N5O3.2ClH/c1-13(15-19-14(2)20-25-15)21-8-10-22(11-9-21)16(23)17(12-24-3)4-6-18-7-5-17;;/h13,18H,4-12H2,1-3H3;2*1H
InChIKeyGWALULAMGXMSAJ-UHFFFAOYSA-N
MW424.37 g/mol
LogP1.44
Rot. Bonds5

About [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride

[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120646466) has the molecular formula C17H31Cl2N5O3 and a molecular weight of 424.37 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID120646466
Molecular FormulaC17H31Cl2N5O3
Molecular Weight424.37 g/mol
Exact Mass423.18
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCOCC1(C(=O)N2CCN(C(C)c3nc(C)no3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H29N5O3.2ClH/c1-13(15-19-14(2)20-25-15)21-8-10-22(11-9-21)16(23)17(12-24-3)4-6-18-7-5-17;;/h13,18H,4-12H2,1-3H3;2*1H
InChIKeyGWALULAMGXMSAJ-UHFFFAOYSA-N
XLogP1.44
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880632
[4-(methoxymethyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120639468
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028444
2-(4-chlorophenyl)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028443

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride (CID 120646466) is [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride is COCC1(C(=O)N2CCN(C(C)c3nc(C)no3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is GWALULAMGXMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3.2ClH/c1-13(15-19-14(2)20-25-15)21-8-10-22(11-9-21)16(23)17(12-24-3)4-6-18-7-5-17;;/h13,18H,4-12H2,1-3H3;2*1H.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?
[4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 424.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).