1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

C17H24N4O3 — CID 139000199

IUPAC1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESCCc1cc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-2-13-10-12(11-15(22)19-13)16(23)20-8-4-14(5-9-20)21-7-3-6-18-17(21)24/h10-11,14H,2-9H2,1H3,(H,18,24)(H,19,22)
InChIKeyKPSBZZPMVWSFJZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.96
Rot. Bonds3

About 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 139000199) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID139000199
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESCCc1cc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-2-13-10-12(11-15(22)19-13)16(23)20-8-4-14(5-9-20)21-7-3-6-18-17(21)24/h10-11,14H,2-9H2,1H3,(H,18,24)(H,19,22)
InChIKeyKPSBZZPMVWSFJZ-UHFFFAOYSA-N
XLogP0.96
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (CID 139000199) is 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is CCc1cc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is KPSBZZPMVWSFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-13-10-12(11-15(22)19-13)16(23)20-8-4-14(5-9-20)21-7-3-6-18-17(21)24/h10-11,14H,2-9H2,1H3,(H,18,24)(H,19,22).
What are the key properties of 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 332.40 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 139000199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).