2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine

C24H38N6 — CID 166184255

IUPAC2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
SMILESCCn1ccnc1C1CCCCN1C/C=C/CN1CCCCC1c1nccn1CC
InChIInChI=1S/C24H38N6/c1-3-27-19-13-25-23(27)21-11-5-7-15-29(21)17-9-10-18-30-16-8-6-12-22(30)24-26-14-20-28(24)4-2/h9-10,13-14,19-22H,3-8,11-12,15-18H2,1-2H3/b10-9+
InChIKeyCUDAGOYASDIFJQ-MDZDMXLPSA-N
MW410.61 g/mol
LogP4.43
Rot. Bonds8

About 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine

2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine (PubChem CID 166184255) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
PubChem CID166184255
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC Name2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
SMILESCCn1ccnc1C1CCCCN1C/C=C/CN1CCCCC1c1nccn1CC
InChIInChI=1S/C24H38N6/c1-3-27-19-13-25-23(27)21-11-5-7-15-29(21)17-9-10-18-30-16-8-6-12-22(30)24-26-14-20-28(24)4-2/h9-10,13-14,19-22H,3-8,11-12,15-18H2,1-2H3/b10-9+
InChIKeyCUDAGOYASDIFJQ-MDZDMXLPSA-N
XLogP4.43
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine
CID 124888754
2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 124740922
[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124742119
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 139010291
1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 124890717
(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
CID 124890193
2-(1-ethylimidazol-2-yl)cycloheptan-1-amine
CID 63968778
4-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 100648651
4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 119037221
2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide
CID 154795501
1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
CID 81026716
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine (CID 166184255) is 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine is CCn1ccnc1C1CCCCN1C/C=C/CN1CCCCC1c1nccn1CC.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine?
The InChIKey is CUDAGOYASDIFJQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H38N6/c1-3-27-19-13-25-23(27)21-11-5-7-15-29(21)17-9-10-18-30-16-8-6-12-22(30)24-26-14-20-28(24)4-2/h9-10,13-14,19-22H,3-8,11-12,15-18H2,1-2H3/b10-9+.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine?
2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine has a molecular weight of 410.61 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine is sourced from PubChem (CID 166184255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).