5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one

C17H27N3O — CID 72842408

IUPAC5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(Cc2nc[nH]c2C)C1
InChIInChI=1S/C17H27N3O/c1-13(2)6-5-8-17(4)9-7-16(21)20(11-17)10-15-14(3)18-12-19-15/h6,12H,5,7-11H2,1-4H3,(H,18,19)
InChIKeyHRJYQTSPKDDCQO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.59
Rot. Bonds5

About 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one

5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one (PubChem CID 72842408) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
PubChem CID72842408
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(Cc2nc[nH]c2C)C1
InChIInChI=1S/C17H27N3O/c1-13(2)6-5-8-17(4)9-7-16(21)20(11-17)10-15-14(3)18-12-19-15/h6,12H,5,7-11H2,1-4H3,(H,18,19)
InChIKeyHRJYQTSPKDDCQO-UHFFFAOYSA-N
XLogP3.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
The IUPAC name of 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one (CID 72842408) is 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one.
What is the SMILES notation for 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
The canonical SMILES for 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one is CC(C)=CCCC1(C)CCC(=O)N(Cc2nc[nH]c2C)C1.
What is the InChIKey of 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
The InChIKey is HRJYQTSPKDDCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)6-5-8-17(4)9-7-16(21)20(11-17)10-15-14(3)18-12-19-15/h6,12H,5,7-11H2,1-4H3,(H,18,19).
What are the key properties of 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one is sourced from PubChem (CID 72842408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).