1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one

C14H19N5O2 — CID 123811259

IUPAC1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one
SMILESCc1cnc(N2CCC(N3CCNC3=O)CC2)c(N=O)c1
InChIInChI=1S/C14H19N5O2/c1-10-8-12(17-21)13(16-9-10)18-5-2-11(3-6-18)19-7-4-15-14(19)20/h8-9,11H,2-7H2,1H3,(H,15,20)
InChIKeyGDWIGVFTYZOCRF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.78
Rot. Bonds3

About 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 123811259) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID123811259
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one
SMILESCc1cnc(N2CCC(N3CCNC3=O)CC2)c(N=O)c1
InChIInChI=1S/C14H19N5O2/c1-10-8-12(17-21)13(16-9-10)18-5-2-11(3-6-18)19-7-4-15-14(19)20/h8-9,11H,2-7H2,1H3,(H,15,20)
InChIKeyGDWIGVFTYZOCRF-UHFFFAOYSA-N
XLogP1.78
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one (CID 123811259) is 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one is Cc1cnc(N2CCC(N3CCNC3=O)CC2)c(N=O)c1.
What is the InChIKey of 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is GDWIGVFTYZOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-12(17-21)13(16-9-10)18-5-2-11(3-6-18)19-7-4-15-14(19)20/h8-9,11H,2-7H2,1H3,(H,15,20).
What are the key properties of 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 289.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-3-nitroso-2-pyridinyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 123811259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).