1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one

C18H25N5O — CID 129000463

IUPAC1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCCN1CCN(C(=O)CCc2ccncc2)CC1c1nccn1C
InChIInChI=1S/C18H25N5O/c1-3-22-12-13-23(14-16(22)18-20-10-11-21(18)2)17(24)5-4-15-6-8-19-9-7-15/h6-11,16H,3-5,12-14H2,1-2H3
InChIKeyBKBSHFKVZYSEQE-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 129000463) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID129000463
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCCN1CCN(C(=O)CCc2ccncc2)CC1c1nccn1C
InChIInChI=1S/C18H25N5O/c1-3-22-12-13-23(14-16(22)18-20-10-11-21(18)2)17(24)5-4-15-6-8-19-9-7-15/h6-11,16H,3-5,12-14H2,1-2H3
InChIKeyBKBSHFKVZYSEQE-UHFFFAOYSA-N
XLogP1.65
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 129338796
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 129007004
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 128994525
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129339745
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 129335910
1-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(3S)-oxan-3-yl]propan-1-one
CID 129330947
3-(furan-3-yl)-1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 128997702
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 129000463) is 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one is CCN1CCN(C(=O)CCc2ccncc2)CC1c1nccn1C.
What is the InChIKey of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is BKBSHFKVZYSEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22-12-13-23(14-16(22)18-20-10-11-21(18)2)17(24)5-4-15-6-8-19-9-7-15/h6-11,16H,3-5,12-14H2,1-2H3.
What are the key properties of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 129000463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).