6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one

C19H17N3O4 — CID 166328625

IUPAC6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C19H17N3O4/c23-14-12-16(26-15-5-2-1-4-13(14)15)19(25)22-10-8-21(9-11-22)17-6-3-7-18(24)20-17/h1-7,12H,8-11H2,(H,20,24)
InChIKeyOEWJBGVWENANNF-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.44
Rot. Bonds2

About 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one

6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 166328625) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one
PubChem CID166328625
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C19H17N3O4/c23-14-12-16(26-15-5-2-1-4-13(14)15)19(25)22-10-8-21(9-11-22)17-6-3-7-18(24)20-17/h1-7,12H,8-11H2,(H,20,24)
InChIKeyOEWJBGVWENANNF-UHFFFAOYSA-N
XLogP1.44
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one (CID 166328625) is 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one is O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2cccc(=O)[nH]2)CC1.
What is the InChIKey of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is OEWJBGVWENANNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-14-12-16(26-15-5-2-1-4-13(14)15)19(25)22-10-8-21(9-11-22)17-6-3-7-18(24)20-17/h1-7,12H,8-11H2,(H,20,24).
What are the key properties of 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one?
6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 351.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166328625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).