3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one

C18H24N4O — CID 124954504

IUPAC3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N4O/c1-2-17-20-10-12-21(17)11-8-18(23)22-13-9-19-14-16(22)15-6-4-3-5-7-15/h3-7,10,12,16,19H,2,8-9,11,13-14H2,1H3/t16-/m1/s1
InChIKeyFDBQGAHRIXPNPJ-MRXNPFEDSA-N
MW312.42 g/mol
LogP2.01
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one (PubChem CID 124954504) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
PubChem CID124954504
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C18H24N4O/c1-2-17-20-10-12-21(17)11-8-18(23)22-13-9-19-14-16(22)15-6-4-3-5-7-15/h3-7,10,12,16,19H,2,8-9,11,13-14H2,1H3/t16-/m1/s1
InChIKeyFDBQGAHRIXPNPJ-MRXNPFEDSA-N
XLogP2.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylimidazol-1-yl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109410
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
CID 120740568
3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 70721497
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
(3S,4R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70757023
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
3-(2-ethylimidazol-1-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155493847
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
CID 120738779
(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-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one (CID 124954504) is 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCNC[C@@H]1c1ccccc1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one?
The InChIKey is FDBQGAHRIXPNPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-17-20-10-12-21(17)11-8-18(23)22-13-9-19-14-16(22)15-6-4-3-5-7-15/h3-7,10,12,16,19H,2,8-9,11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 124954504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).