3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

C17H22N4O — CID 110098304

IUPAC3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCn2ccnc2)CC1c1ccccc1
InChIInChI=1S/C17H22N4O/c1-19-11-12-21(13-16(19)15-5-3-2-4-6-15)17(22)7-9-20-10-8-18-14-20/h2-6,8,10,14,16H,7,9,11-13H2,1H3
InChIKeyVSVUICNOBRBLPE-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds4

About 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (PubChem CID 110098304) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
PubChem CID110098304
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCn2ccnc2)CC1c1ccccc1
InChIInChI=1S/C17H22N4O/c1-19-11-12-21(13-16(19)15-5-3-2-4-6-15)17(22)7-9-20-10-8-18-14-20/h2-6,8,10,14,16H,7,9,11-13H2,1H3
InChIKeyVSVUICNOBRBLPE-UHFFFAOYSA-N
XLogP1.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110098335
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 86284577
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
1-[(3aR,6aS)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-imidazol-1-ylpropan-1-one
CID 110134842
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (CID 110098304) is 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCn2ccnc2)CC1c1ccccc1.
What is the InChIKey of 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is VSVUICNOBRBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-19-11-12-21(13-16(19)15-5-3-2-4-6-15)17(22)7-9-20-10-8-18-14-20/h2-6,8,10,14,16H,7,9,11-13H2,1H3.
What are the key properties of 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110098304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).