(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one

C15H23N3O — CID 97284839

IUPAC(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
SMILESC/C=C/CC(=O)N1CCC[C@@H](c2nccn2CC)C1
InChIInChI=1S/C15H23N3O/c1-3-5-8-14(19)18-10-6-7-13(12-18)15-16-9-11-17(15)4-2/h3,5,9,11,13H,4,6-8,10,12H2,1-2H3/b5-3+/t13-/m1/s1
InChIKeyRHEHEEFQBPAMGM-MASHWEEQSA-N
MW261.37 g/mol
LogP2.58
Rot. Bonds4

About (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one

(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one (PubChem CID 97284839) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one.

Molecular Properties

Compound Name(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
PubChem CID97284839
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
SMILESC/C=C/CC(=O)N1CCC[C@@H](c2nccn2CC)C1
InChIInChI=1S/C15H23N3O/c1-3-5-8-14(19)18-10-6-7-13(12-18)15-16-9-11-17(15)4-2/h3,5,9,11,13H,4,6-8,10,12H2,1-2H3/b5-3+/t13-/m1/s1
InChIKeyRHEHEEFQBPAMGM-MASHWEEQSA-N
XLogP2.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.58
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-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72844026
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
CID 91940797
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 97150525
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 97278686
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one?
The IUPAC name of (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one (CID 97284839) is (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one.
What is the SMILES notation for (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one?
The canonical SMILES for (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one is C/C=C/CC(=O)N1CCC[C@@H](c2nccn2CC)C1.
What is the InChIKey of (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one?
The InChIKey is RHEHEEFQBPAMGM-MASHWEEQSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-5-8-14(19)18-10-6-7-13(12-18)15-16-9-11-17(15)4-2/h3,5,9,11,13H,4,6-8,10,12H2,1-2H3/b5-3+/t13-/m1/s1.
What are the key properties of (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one?
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one is sourced from PubChem (CID 97284839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).