(3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one

C16H27N3O — CID 142128710

IUPAC(3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one
SMILESC=C/C=C\CC.Cc1c[nH]c(=O)n1C1CCN(C)CC1
InChIInChI=1S/C10H17N3O.C6H10/c1-8-7-11-10(14)13(8)9-3-5-12(2)6-4-9;1-3-5-6-4-2/h7,9H,3-6H2,1-2H3,(H,11,14);3,5-6H,1,4H2,2H3/b;6-5-
InChIKeyYCLKBOOKTVJHQW-JXGYXAOLSA-N
MW277.41 g/mol
LogP2.89
Rot. Bonds3

About (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one

(3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one (PubChem CID 142128710) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name(3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one
PubChem CID142128710
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one
SMILESC=C/C=C\CC.Cc1c[nH]c(=O)n1C1CCN(C)CC1
InChIInChI=1S/C10H17N3O.C6H10/c1-8-7-11-10(14)13(8)9-3-5-12(2)6-4-9;1-3-5-6-4-2/h7,9H,3-6H2,1-2H3,(H,11,14);3,5-6H,1,4H2,2H3/b;6-5-
InChIKeyYCLKBOOKTVJHQW-JXGYXAOLSA-N
XLogP2.89
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
The IUPAC name of (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one (CID 142128710) is (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one.
What is the SMILES notation for (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
The canonical SMILES for (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one is C=C/C=C\CC.Cc1c[nH]c(=O)n1C1CCN(C)CC1.
What is the InChIKey of (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
The InChIKey is YCLKBOOKTVJHQW-JXGYXAOLSA-N. The full InChI is InChI=1S/C10H17N3O.C6H10/c1-8-7-11-10(14)13(8)9-3-5-12(2)6-4-9;1-3-5-6-4-2/h7,9H,3-6H2,1-2H3,(H,11,14);3,5-6H,1,4H2,2H3/b;6-5-.
What are the key properties of (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
(3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one has a molecular weight of 277.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-hexa-1,3-diene;4-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one is sourced from PubChem (CID 142128710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).