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

C18H25N5O — CID 128991431

IUPAC1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)c2cccnc2)CC1c1nccn1C
InChIInChI=1S/C18H25N5O/c1-4-22-10-11-23(13-16(22)17-20-8-9-21(17)3)18(24)14(2)15-6-5-7-19-12-15/h5-9,12,14,16H,4,10-11,13H2,1-3H3
InChIKeyQTFWMFMPGHLSII-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.82
Rot. Bonds4

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

1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one (PubChem CID 128991431) 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]-2-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
PubChem CID128991431
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)c2cccnc2)CC1c1nccn1C
InChIInChI=1S/C18H25N5O/c1-4-22-10-11-23(13-16(22)17-20-8-9-21(17)3)18(24)14(2)15-6-5-7-19-12-15/h5-9,12,14,16H,4,10-11,13H2,1-3H3
InChIKeyQTFWMFMPGHLSII-UHFFFAOYSA-N
XLogP1.82
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one
CID 129000682
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129000463
2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 167847885
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128992347
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 129335910

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one (CID 128991431) is 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one is CCN1CCN(C(=O)C(C)c2cccnc2)CC1c1nccn1C.
What is the InChIKey of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
The InChIKey is QTFWMFMPGHLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-22-10-11-23(13-16(22)17-20-8-9-21(17)3)18(24)14(2)15-6-5-7-19-12-15/h5-9,12,14,16H,4,10-11,13H2,1-3H3.
What are the key properties of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one?
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.82, 4 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]-2-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 128991431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).