(2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride

C16H26Cl2N6O2 — CID 154915178

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)c1noc(C2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)n1.Cl.Cl
InChIInChI=1S/C16H24N6O2.2ClH/c1-10(2)14-20-15(24-21-14)11-3-5-22(6-4-11)16(23)13(17)7-12-8-18-9-19-12;;/h8-11,13H,3-7,17H2,1-2H3,(H,18,19);2*1H/t13-;;/m0../s1
InChIKeyXZAODYLLHCVPDA-GXKRWWSZSA-N
MW405.33 g/mol
LogP2.04
Rot. Bonds5

About (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride

(2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 154915178) has the molecular formula C16H26Cl2N6O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID154915178
Molecular FormulaC16H26Cl2N6O2
Molecular Weight405.33 g/mol
Exact Mass404.15
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)c1noc(C2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)n1.Cl.Cl
InChIInChI=1S/C16H24N6O2.2ClH/c1-10(2)14-20-15(24-21-14)11-3-5-22(6-4-11)16(23)13(17)7-12-8-18-9-19-12;;/h8-11,13H,3-7,17H2,1-2H3,(H,18,19);2*1H/t13-;;/m0../s1
InChIKeyXZAODYLLHCVPDA-GXKRWWSZSA-N
XLogP2.04
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Taltirelin
CID 114750
(4R)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 59652905
D-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-
CID 3080396
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-propyl-1H-imidazolyl)propanoyl]azalone-2-carboxamide
CID 44422177
CID 122184249
CID 122184249
CID 122184250
CID 122184250
Cyclo(histidyl-leucyl)
CID 6453155
L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-D-histidyl-, (S)-, hydrate (4:3)
CID 3080397
L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (R)-, hydrate
CID 3080398
(4S)-N-[(2R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 44307934
1-[3-(2-isopropyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide
CID 11545893
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-isopropyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
CID 44422085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 154915178) is (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride is CC(C)c1noc(C2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)n1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is XZAODYLLHCVPDA-GXKRWWSZSA-N. The full InChI is InChI=1S/C16H24N6O2.2ClH/c1-10(2)14-20-15(24-21-14)11-3-5-22(6-4-11)16(23)13(17)7-12-8-18-9-19-12;;/h8-11,13H,3-7,17H2,1-2H3,(H,18,19);2*1H/t13-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride?
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 405.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 154915178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).