1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone

C16H20N4O2 — CID 110267742

IUPAC1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2cccc(-n3ccnc3)n2)C1
InChIInChI=1S/C16H20N4O2/c1-22-11-16(21)19-8-3-4-13(10-19)14-5-2-6-15(18-14)20-9-7-17-12-20/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3
InChIKeyPOZWPYSZNMSNSJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.62
Rot. Bonds4

About 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone

1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 110267742) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
PubChem CID110267742
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(c2cccc(-n3ccnc3)n2)C1
InChIInChI=1S/C16H20N4O2/c1-22-11-16(21)19-8-3-4-13(10-19)14-5-2-6-15(18-14)20-9-7-17-12-20/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3
InChIKeyPOZWPYSZNMSNSJ-UHFFFAOYSA-N
XLogP1.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone (CID 110267742) is 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCC(c2cccc(-n3ccnc3)n2)C1.
What is the InChIKey of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is POZWPYSZNMSNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-11-16(21)19-8-3-4-13(10-19)14-5-2-6-15(18-14)20-9-7-17-12-20/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3.
What are the key properties of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone?
1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 300.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 110267742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).