3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one

C17H28N4O — CID 99974237

IUPAC3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CC[C@@H](N2CCCCC2)C1
InChIInChI=1S/C17H28N4O/c1-2-16-18-8-13-20(16)12-7-17(22)21-11-6-15(14-21)19-9-4-3-5-10-19/h8,13,15H,2-7,9-12,14H2,1H3/t15-/m1/s1
InChIKeyLNZTYFKENLUEDD-OAHLLOKOSA-N
MW304.44 g/mol
LogP1.92
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 99974237) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
PubChem CID99974237
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CC[C@@H](N2CCCCC2)C1
InChIInChI=1S/C17H28N4O/c1-2-16-18-8-13-20(16)12-7-17(22)21-11-6-15(14-21)19-9-4-3-5-10-19/h8,13,15H,2-7,9-12,14H2,1H3/t15-/m1/s1
InChIKeyLNZTYFKENLUEDD-OAHLLOKOSA-N
XLogP1.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9aR)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95126514
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867056
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 110113154
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 95203716
3-(2-ethylimidazol-1-yl)-1-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]propan-1-one
CID 50953699
N-[[2-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124977533
3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70711493
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
4-[3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrazine-2,3-dione
CID 154748019
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
N-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one (CID 99974237) is 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CC[C@@H](N2CCCCC2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is LNZTYFKENLUEDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-16-18-8-13-20(16)12-7-17(22)21-11-6-15(14-21)19-9-4-3-5-10-19/h8,13,15H,2-7,9-12,14H2,1H3/t15-/m1/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 304.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 99974237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).