2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

C11H18N4O — CID 66852834

IUPAC2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(C3CCNCC3)CN2C1
InChIInChI=1S/C11H18N4O/c1-13-6-10-11(16)15(8-14(10)7-13)9-2-4-12-5-3-9/h6,9,12H,2-5,7-8H2,1H3
InChIKeyCHWSNJQEMPPIRY-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.42
Rot. Bonds1

About 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 66852834) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID66852834
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(C3CCNCC3)CN2C1
InChIInChI=1S/C11H18N4O/c1-13-6-10-11(16)15(8-14(10)7-13)9-2-4-12-5-3-9/h6,9,12H,2-5,7-8H2,1H3
InChIKeyCHWSNJQEMPPIRY-UHFFFAOYSA-N
XLogP-0.42
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.42
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-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The IUPAC name of 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 66852834) is 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.
What is the SMILES notation for 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The canonical SMILES for 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is CN1C=C2C(=O)N(C3CCNCC3)CN2C1.
What is the InChIKey of 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The InChIKey is CHWSNJQEMPPIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-13-6-10-11(16)15(8-14(10)7-13)9-2-4-12-5-3-9/h6,9,12H,2-5,7-8H2,1H3.
What are the key properties of 2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
2-methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 222.29 g/mol, XLogP of -0.42, 1 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-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 66852834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).