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

C12H18N4O — CID 23138138

IUPAC3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(CC1CCNCC1)C2
InChIInChI=1S/C12H18N4O/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
InChIKeyWOLYMGWVRIUGQH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.97
Rot. Bonds2

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

3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 23138138) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID23138138
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(CC1CCNCC1)C2
InChIInChI=1S/C12H18N4O/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
InChIKeyWOLYMGWVRIUGQH-UHFFFAOYSA-N
XLogP0.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.97
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?
The IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one (CID 23138138) is 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(CC1CCNCC1)C2.
What is the InChIKey of 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is WOLYMGWVRIUGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/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.
What are the key properties of 3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one?
3-methyl-6-(piperidin-4-ylmethyl)-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 234.30 g/mol, XLogP of 0.97, 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 is sourced from PubChem (CID 23138138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).