1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one

C17H27N3O — CID 72909890

IUPAC1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(CCn2ccnc2)C1
InChIInChI=1S/C17H27N3O/c1-15(2)5-4-7-17(3)8-6-16(21)20(13-17)12-11-19-10-9-18-14-19/h5,9-10,14H,4,6-8,11-13H2,1-3H3
InChIKeyOILAHSKTALMBPF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one

1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (PubChem CID 72909890) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
PubChem CID72909890
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(CCn2ccnc2)C1
InChIInChI=1S/C17H27N3O/c1-15(2)5-4-7-17(3)8-6-16(21)20(13-17)12-11-19-10-9-18-14-19/h5,9-10,14H,4,6-8,11-13H2,1-3H3
InChIKeyOILAHSKTALMBPF-UHFFFAOYSA-N
XLogP3.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.26
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

(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97152133
5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72847770
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
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72880131
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72842408
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
CID 97128405
5-methyl-5-(4-methylpent-3-enyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 72939519
9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97136061
2-(3-imidazol-1-ylpropyl)-9-[(2S)-2-pyrrolidin-1-ylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97279786
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (CID 72909890) is 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is CC(C)=CCCC1(C)CCC(=O)N(CCn2ccnc2)C1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The InChIKey is OILAHSKTALMBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15(2)5-4-7-17(3)8-6-16(21)20(13-17)12-11-19-10-9-18-14-19/h5,9-10,14H,4,6-8,11-13H2,1-3H3.
What are the key properties of 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is sourced from PubChem (CID 72909890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).