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

C17H27N3O — CID 72865969

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(CCc2cnc[nH]2)C1
InChIInChI=1S/C17H27N3O/c1-14(2)5-4-8-17(3)9-6-16(21)20(12-17)10-7-15-11-18-13-19-15/h5,11,13H,4,6-10,12H2,1-3H3,(H,18,19)
InChIKeyXTHRBTQIMLMFCR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.33
Rot. Bonds6

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

1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (PubChem CID 72865969) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
PubChem CID72865969
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCCC1(C)CCC(=O)N(CCc2cnc[nH]2)C1
InChIInChI=1S/C17H27N3O/c1-14(2)5-4-8-17(3)9-6-16(21)20(12-17)10-7-15-11-18-13-19-15/h5,11,13H,4,6-10,12H2,1-3H3,(H,18,19)
InChIKeyXTHRBTQIMLMFCR-UHFFFAOYSA-N
XLogP3.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72909890
5-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72842408
(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-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72880131
(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97143124
(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
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
CID 97128405
2-[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetic acid
CID 96573844
5-methyl-5-(4-methylpent-3-enyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 72939519
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (CID 72865969) is 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is CC(C)=CCCC1(C)CCC(=O)N(CCc2cnc[nH]2)C1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The InChIKey is XTHRBTQIMLMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)5-4-8-17(3)9-6-16(21)20(12-17)10-7-15-11-18-13-19-15/h5,11,13H,4,6-10,12H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is sourced from PubChem (CID 72865969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).