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

C13H20N4O — CID 23138322

IUPAC3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(CCC1CCNCC1)C2
InChIInChI=1S/C13H20N4O/c1-10-15-8-12-9-16(13(18)17(10)12)7-4-11-2-5-14-6-3-11/h8,11,14H,2-7,9H2,1H3
InChIKeyFMQNLVMKYDOMJQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.36
Rot. Bonds3

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

3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 23138322) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID23138322
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(CCC1CCNCC1)C2
InChIInChI=1S/C13H20N4O/c1-10-15-8-12-9-16(13(18)17(10)12)7-4-11-2-5-14-6-3-11/h8,11,14H,2-7,9H2,1H3
InChIKeyFMQNLVMKYDOMJQ-UHFFFAOYSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one (CID 23138322) is 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(CCC1CCNCC1)C2.
What is the InChIKey of 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is FMQNLVMKYDOMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-15-8-12-9-16(13(18)17(10)12)7-4-11-2-5-14-6-3-11/h8,11,14H,2-7,9H2,1H3.
What are the key properties of 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one?
3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 248.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-piperidin-4-ylethyl)-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 23138322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).