(2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one

C18H24N2O2 — CID 146373229

IUPAC(2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one
SMILESCOC1CCN(C(=O)/C=C/C(C)=C(/N)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O2/c1-14(18(19)15-6-4-3-5-7-15)8-9-17(21)20-12-10-16(22-2)11-13-20/h3-9,16H,10-13,19H2,1-2H3/b9-8+,18-14+
InChIKeyIMJGJXAIBJLXOV-HAPMQHLFSA-N
MW300.40 g/mol
LogP2.57
Rot. Bonds4

About (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one

(2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one (PubChem CID 146373229) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one
PubChem CID146373229
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one
SMILESCOC1CCN(C(=O)/C=C/C(C)=C(/N)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O2/c1-14(18(19)15-6-4-3-5-7-15)8-9-17(21)20-12-10-16(22-2)11-13-20/h3-9,16H,10-13,19H2,1-2H3/b9-8+,18-14+
InChIKeyIMJGJXAIBJLXOV-HAPMQHLFSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one (CID 146373229) is (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one is COC1CCN(C(=O)/C=C/C(C)=C(/N)c2ccccc2)CC1.
What is the InChIKey of (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one?
The InChIKey is IMJGJXAIBJLXOV-HAPMQHLFSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(18(19)15-6-4-3-5-7-15)8-9-17(21)20-12-10-16(22-2)11-13-20/h3-9,16H,10-13,19H2,1-2H3/b9-8+,18-14+.
What are the key properties of (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one?
(2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one has a molecular weight of 300.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-1-(4-methoxypiperidin-1-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 146373229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).