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

C18H19FN4O2 — CID 134794604

IUPAC6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)c3ccccc3F)CC1)C2
InChIInChI=1S/C18H19FN4O2/c1-12-20-10-14-11-22(18(25)23(12)14)13-6-8-21(9-7-13)17(24)15-4-2-3-5-16(15)19/h2-5,10,13H,6-9,11H2,1H3
InChIKeyNCUBVPAXWQQJHO-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.42
Rot. Bonds2

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

6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 134794604) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID134794604
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)c3ccccc3F)CC1)C2
InChIInChI=1S/C18H19FN4O2/c1-12-20-10-14-11-22(18(25)23(12)14)13-6-8-21(9-7-13)17(24)15-4-2-3-5-16(15)19/h2-5,10,13H,6-9,11H2,1H3
InChIKeyNCUBVPAXWQQJHO-UHFFFAOYSA-N
XLogP2.42
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 134794604) is 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(C(=O)c3ccccc3F)CC1)C2.
What is the InChIKey of 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is NCUBVPAXWQQJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12-20-10-14-11-22(18(25)23(12)14)13-6-8-21(9-7-13)17(24)15-4-2-3-5-16(15)19/h2-5,10,13H,6-9,11H2,1H3.
What are the key properties of 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 342.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 134794604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).