5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H22N4O3 — CID 70778364

IUPAC5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)c(=O)[nH]c1C
InChIInChI=1S/C18H22N4O3/c1-11-9-14(17(24)20-12(11)2)18(25)22-7-4-5-13(10-22)15(23)16-19-6-8-21(16)3/h6,8-9,13H,4-5,7,10H2,1-3H3,(H,20,24)
InChIKeyVOFRZPJRDCTDNS-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.46
Rot. Bonds3

About 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one

5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70778364) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70778364
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)c(=O)[nH]c1C
InChIInChI=1S/C18H22N4O3/c1-11-9-14(17(24)20-12(11)2)18(25)22-7-4-5-13(10-22)15(23)16-19-6-8-21(16)3/h6,8-9,13H,4-5,7,10H2,1-3H3,(H,20,24)
InChIKeyVOFRZPJRDCTDNS-UHFFFAOYSA-N
XLogP1.46
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70778364) is 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is VOFRZPJRDCTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-9-14(17(24)20-12(11)2)18(25)22-7-4-5-13(10-22)15(23)16-19-6-8-21(16)3/h6,8-9,13H,4-5,7,10H2,1-3H3,(H,20,24).
What are the key properties of 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70778364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).