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

C17H27N3O — CID 72847770

IUPAC5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(Cc2nccn2C)C1
InChIInChI=1S/C17H27N3O/c1-14(2)6-5-8-17(3)9-7-16(21)20(13-17)12-15-18-10-11-19(15)4/h6,10-11H,5,7-9,12-13H2,1-4H3
InChIKeyZJTVDLFQGHDKRN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds5

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

5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one (PubChem CID 72847770) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
PubChem CID72847770
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(Cc2nccn2C)C1
InChIInChI=1S/C17H27N3O/c1-14(2)6-5-8-17(3)9-7-16(21)20(13-17)12-15-18-10-11-19(15)4/h6,10-11H,5,7-9,12-13H2,1-4H3
InChIKeyZJTVDLFQGHDKRN-UHFFFAOYSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72909890
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 97145923
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one
CID 97151555
(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97152133
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
CID 97128405
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72880131
5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72842408
1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72865969
(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97143124
5-methyl-5-(4-methylpent-3-enyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 72939519
N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide
CID 72908778
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
The IUPAC name of 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one (CID 72847770) is 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one.
What is the SMILES notation for 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
The canonical SMILES for 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one is CC(C)=CCCC1(C)CCC(=O)N(Cc2nccn2C)C1.
What is the InChIKey of 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
The InChIKey is ZJTVDLFQGHDKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)6-5-8-17(3)9-7-16(21)20(13-17)12-15-18-10-11-19(15)4/h6,10-11H,5,7-9,12-13H2,1-4H3.
What are the key properties of 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one?
5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one is sourced from PubChem (CID 72847770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).