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

C12H20Cl2N4O — CID 23138137

IUPAC3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride
SMILESCc1ncc2n1C(=O)N(CC1CCNCC1)C2.Cl.Cl
InChIInChI=1S/C12H18N4O.2ClH/c1-9-14-6-11-8-15(12(17)16(9)11)7-10-2-4-13-5-3-10;;/h6,10,13H,2-5,7-8H2,1H3;2*1H
InChIKeyLQXVTTLUBXLOHU-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.82
Rot. Bonds2

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

3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride (PubChem CID 23138137) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride.

Molecular Properties

Compound Name3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride
PubChem CID23138137
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC Name3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride
SMILESCc1ncc2n1C(=O)N(CC1CCNCC1)C2.Cl.Cl
InChIInChI=1S/C12H18N4O.2ClH/c1-9-14-6-11-8-15(12(17)16(9)11)7-10-2-4-13-5-3-10;;/h6,10,13H,2-5,7-8H2,1H3;2*1H
InChIKeyLQXVTTLUBXLOHU-UHFFFAOYSA-N
XLogP1.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
The IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride (CID 23138137) is 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride.
What is the SMILES notation for 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
The canonical SMILES for 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride is Cc1ncc2n1C(=O)N(CC1CCNCC1)C2.Cl.Cl.
What is the InChIKey of 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
The InChIKey is LQXVTTLUBXLOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2ClH/c1-9-14-6-11-8-15(12(17)16(9)11)7-10-2-4-13-5-3-10;;/h6,10,13H,2-5,7-8H2,1H3;2*1H.
What are the key properties of 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride has a molecular weight of 307.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride is sourced from PubChem (CID 23138137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).