(2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride

C15H26Cl2N4O2 — CID 67528982

IUPAC(2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride
SMILESCc1nccnc1OC1CCN(C(=O)[C@@H](N)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C15H24N4O2.2ClH/c1-10(2)13(16)15(20)19-8-4-12(5-9-19)21-14-11(3)17-6-7-18-14;;/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3;2*1H/t13-;;/m0../s1
InChIKeyOUTRAPUESVGKID-GXKRWWSZSA-N
MW365.31 g/mol
LogP1.98
Rot. Bonds4

About (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride

(2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 67528982) has the molecular formula C15H26Cl2N4O2 and a molecular weight of 365.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride
PubChem CID67528982
Molecular FormulaC15H26Cl2N4O2
Molecular Weight365.31 g/mol
Exact Mass364.14
IUPAC Name(2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride
SMILESCc1nccnc1OC1CCN(C(=O)[C@@H](N)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C15H24N4O2.2ClH/c1-10(2)13(16)15(20)19-8-4-12(5-9-19)21-14-11(3)17-6-7-18-14;;/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3;2*1H/t13-;;/m0../s1
InChIKeyOUTRAPUESVGKID-GXKRWWSZSA-N
XLogP1.98
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2S)-2-amino-3-methyl-1-[4-[[3-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67530658
(2S)-2-amino-1-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 67530608
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481474
(2S)-2-amino-3-methyl-1-[4-[[3-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]butan-1-one
CID 67530659
(2S)-2-amino-3-methyl-1-[4-(3-methylbutoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119296128
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride (CID 67528982) is (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride is Cc1nccnc1OC1CCN(C(=O)[C@@H](N)C(C)C)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is OUTRAPUESVGKID-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H24N4O2.2ClH/c1-10(2)13(16)15(20)19-8-4-12(5-9-19)21-14-11(3)17-6-7-18-14;;/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3;2*1H/t13-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride?
(2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 365.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-[4-(3-methylpyrazin-2-yl)oxypiperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 67528982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).