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

C12H18N4O2 — CID 23084043

IUPAC3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCOCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C12H18N4O2/c1-18-8-11-14-6-10-7-15(12(17)16(10)11)9-2-4-13-5-3-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyXRXSMKGKNXOJAU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.57
Rot. Bonds3

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

3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 23084043) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID23084043
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCOCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C12H18N4O2/c1-18-8-11-14-6-10-7-15(12(17)16(10)11)9-2-4-13-5-3-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyXRXSMKGKNXOJAU-UHFFFAOYSA-N
XLogP0.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one (CID 23084043) is 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one is COCc1ncc2n1C(=O)N(C1CCNCC1)C2.
What is the InChIKey of 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is XRXSMKGKNXOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-8-11-14-6-10-7-15(12(17)16(10)11)9-2-4-13-5-3-9/h6,9,13H,2-5,7-8H2,1H3.
What are the key properties of 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one?
3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 250.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 23084043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).