5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one

C16H25N3O — CID 70961687

IUPAC5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one
SMILESC/C=C\CC(/C=C\C)c1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O/c1-3-5-7-13(6-4-2)15-12-19(16(20)18-15)14-8-10-17-11-9-14/h3-6,12-14,17H,7-11H2,1-2H3,(H,18,20)/b5-3-,6-4-
InChIKeyNIJHVRZHQIJKSC-GLIMQPGKSA-N
MW275.40 g/mol
LogP2.73
Rot. Bonds5

About 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one

5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 70961687) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID70961687
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one
SMILESC/C=C\CC(/C=C\C)c1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O/c1-3-5-7-13(6-4-2)15-12-19(16(20)18-15)14-8-10-17-11-9-14/h3-6,12-14,17H,7-11H2,1-2H3,(H,18,20)/b5-3-,6-4-
InChIKeyNIJHVRZHQIJKSC-GLIMQPGKSA-N
XLogP2.73
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one (CID 70961687) is 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one is C/C=C\CC(/C=C\C)c1cn(C2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is NIJHVRZHQIJKSC-GLIMQPGKSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-5-7-13(6-4-2)15-12-19(16(20)18-15)14-8-10-17-11-9-14/h3-6,12-14,17H,7-11H2,1-2H3,(H,18,20)/b5-3-,6-4-.
What are the key properties of 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one?
5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,6Z)-octa-2,6-dien-4-yl]-3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 70961687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).