3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one

C19H26N4O2 — CID 70711493

IUPAC3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C19H26N4O2/c1-2-18-21-10-13-22(18)12-8-19(24)23-11-5-7-17(14-23)25-15-16-6-3-4-9-20-16/h3-4,6,9-10,13,17H,2,5,7-8,11-12,14-15H2,1H3
InChIKeyULZKLBANZDUHDI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.44
Rot. Bonds7

About 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one (PubChem CID 70711493) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
PubChem CID70711493
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C19H26N4O2/c1-2-18-21-10-13-22(18)12-8-19(24)23-11-5-7-17(14-23)25-15-16-6-3-4-9-20-16/h3-4,6,9-10,13,17H,2,5,7-8,11-12,14-15H2,1H3
InChIKeyULZKLBANZDUHDI-UHFFFAOYSA-N
XLogP2.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 42194864
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
1-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 70775945
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
3-(2-methylimidazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70709835
2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 99931641
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122566518
2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97115501
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one (CID 70711493) is 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCCC(OCc2ccccn2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is ULZKLBANZDUHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-18-21-10-13-22(18)12-8-19(24)23-11-5-7-17(14-23)25-15-16-6-3-4-9-20-16/h3-4,6,9-10,13,17H,2,5,7-8,11-12,14-15H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70711493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).