(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride

C15H25Cl2N5O2 — CID 119827990

IUPAC(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(c3ncccn3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C15H23N5O2.2ClH/c1-22-15(3-7-16-8-4-15)13(21)19-9-11-20(12-10-19)14-17-5-2-6-18-14;;/h2,5-6,16H,3-4,7-12H2,1H3;2*1H
InChIKeyXBRONYFHXLTOTF-UHFFFAOYSA-N
MW378.30 g/mol
LogP0.74
Rot. Bonds3

About (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride

(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119827990) has the molecular formula C15H25Cl2N5O2 and a molecular weight of 378.30 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119827990
Molecular FormulaC15H25Cl2N5O2
Molecular Weight378.30 g/mol
Exact Mass377.14
IUPAC Name(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(c3ncccn3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C15H23N5O2.2ClH/c1-22-15(3-7-16-8-4-15)13(21)19-9-11-20(12-10-19)14-17-5-2-6-18-14;;/h2,5-6,16H,3-4,7-12H2,1H3;2*1H
InChIKeyXBRONYFHXLTOTF-UHFFFAOYSA-N
XLogP0.74
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(methoxymethyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120639468
(4-methoxypiperidin-4-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119863974
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 41138717
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 119730652
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119899792
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933
(4-methoxypiperidin-4-yl)-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone
CID 119876960
(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride (CID 119827990) is (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride is COC1(C(=O)N2CCN(c3ncccn3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is XBRONYFHXLTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2.2ClH/c1-22-15(3-7-16-8-4-15)13(21)19-9-11-20(12-10-19)14-17-5-2-6-18-14;;/h2,5-6,16H,3-4,7-12H2,1H3;2*1H.
What are the key properties of (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 378.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119827990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).