2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride

C12H22Cl2N4O — CID 68646860

IUPAC2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride
SMILESCN1C=C2C(=O)N(CC3CCNCC3)CN2C1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-14-7-11-12(17)15(9-16(11)8-14)6-10-2-4-13-5-3-10;;/h7,10,13H,2-6,8-9H2,1H3;2*1H
InChIKeyWXEYLCCWGXFNAE-UHFFFAOYSA-N
MW309.24 g/mol
LogP0.68
Rot. Bonds2

About 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride

2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride (PubChem CID 68646860) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride
PubChem CID68646860
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC Name2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride
SMILESCN1C=C2C(=O)N(CC3CCNCC3)CN2C1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-14-7-11-12(17)15(9-16(11)8-14)6-10-2-4-13-5-3-10;;/h7,10,13H,2-6,8-9H2,1H3;2*1H
InChIKeyWXEYLCCWGXFNAE-UHFFFAOYSA-N
XLogP0.68
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride?
The IUPAC name of 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride (CID 68646860) is 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride.
What is the SMILES notation for 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride?
The canonical SMILES for 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride is CN1C=C2C(=O)N(CC3CCNCC3)CN2C1.Cl.Cl.
What is the InChIKey of 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride?
The InChIKey is WXEYLCCWGXFNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-14-7-11-12(17)15(9-16(11)8-14)6-10-2-4-13-5-3-10;;/h7,10,13H,2-6,8-9H2,1H3;2*1H.
What are the key properties of 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride?
2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(piperidin-4-ylmethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one;dihydrochloride is sourced from PubChem (CID 68646860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).