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

C13H22N4O — CID 68647133

IUPAC2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(CCC3CCNCC3)CN2C1
InChIInChI=1S/C13H22N4O/c1-15-8-12-13(18)16(10-17(12)9-15)7-4-11-2-5-14-6-3-11/h8,11,14H,2-7,9-10H2,1H3
InChIKeyXBLQNNDWZIQDTF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.22
Rot. Bonds3

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

2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 68647133) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID68647133
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(CCC3CCNCC3)CN2C1
InChIInChI=1S/C13H22N4O/c1-15-8-12-13(18)16(10-17(12)9-15)7-4-11-2-5-14-6-3-11/h8,11,14H,2-7,9-10H2,1H3
InChIKeyXBLQNNDWZIQDTF-UHFFFAOYSA-N
XLogP0.22
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The IUPAC name of 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 68647133) is 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one.
What is the SMILES notation for 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The canonical SMILES for 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one is CN1C=C2C(=O)N(CCC3CCNCC3)CN2C1.
What is the InChIKey of 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The InChIKey is XBLQNNDWZIQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-15-8-12-13(18)16(10-17(12)9-15)7-4-11-2-5-14-6-3-11/h8,11,14H,2-7,9-10H2,1H3.
What are the key properties of 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 250.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-piperidin-4-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 68647133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).