1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one

C12H18N4O — CID 23084270

IUPAC1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1nc(C)n2c1CN(C1CCNCC1)C2=O
InChIInChI=1S/C12H18N4O/c1-8-11-7-15(10-3-5-13-6-4-10)12(17)16(11)9(2)14-8/h10,13H,3-7H2,1-2H3
InChIKeyNXKXTTDVTKMNAQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.04
Rot. Bonds1

About 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one

1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 23084270) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID23084270
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1nc(C)n2c1CN(C1CCNCC1)C2=O
InChIInChI=1S/C12H18N4O/c1-8-11-7-15(10-3-5-13-6-4-10)12(17)16(11)9(2)14-8/h10,13H,3-7H2,1-2H3
InChIKeyNXKXTTDVTKMNAQ-UHFFFAOYSA-N
XLogP1.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one (CID 23084270) is 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one is Cc1nc(C)n2c1CN(C1CCNCC1)C2=O.
What is the InChIKey of 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is NXKXTTDVTKMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-11-7-15(10-3-5-13-6-4-10)12(17)16(11)9(2)14-8/h10,13H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 234.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 23084270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).