[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride

C15H22Cl4N4O2 — CID 120938823

IUPAC[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.Cl.Cl
InChIInChI=1S/C15H20Cl2N4O2.2ClH/c1-10-13(18-2-7-23-10)15(22)21-5-3-20(4-6-21)14-12(17)8-11(16)9-19-14;;/h8-10,13,18H,2-7H2,1H3;2*1H/t10-,13+;;/m1../s1
InChIKeyQTWKBCYKTGHRCV-SRSVFUAYSA-N
MW432.18 g/mol
LogP2.26
Rot. Bonds2

About [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride (PubChem CID 120938823) has the molecular formula C15H22Cl4N4O2 and a molecular weight of 432.18 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
PubChem CID120938823
Molecular FormulaC15H22Cl4N4O2
Molecular Weight432.18 g/mol
Exact Mass430.05
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.Cl.Cl
InChIInChI=1S/C15H20Cl2N4O2.2ClH/c1-10-13(18-2-7-23-10)15(22)21-5-3-20(4-6-21)14-12(17)8-11(16)9-19-14;;/h8-10,13,18H,2-7H2,1H3;2*1H/t10-,13+;;/m1../s1
InChIKeyQTWKBCYKTGHRCV-SRSVFUAYSA-N
XLogP2.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120941808
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942147
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938012
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175
[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120941290
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride (CID 120938823) is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.Cl.Cl.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
The InChIKey is QTWKBCYKTGHRCV-SRSVFUAYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O2.2ClH/c1-10-13(18-2-7-23-10)15(22)21-5-3-20(4-6-21)14-12(17)8-11(16)9-19-14;;/h8-10,13,18H,2-7H2,1H3;2*1H/t10-,13+;;/m1../s1.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride?
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride has a molecular weight of 432.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride is sourced from PubChem (CID 120938823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).