4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one

C19H26N4O2 — CID 110098335

IUPAC4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
SMILESCOc1ccc(C2CN(C(=O)CCCn3ccnc3)CCN2C)cc1
InChIInChI=1S/C19H26N4O2/c1-21-12-13-23(19(24)4-3-10-22-11-9-20-15-22)14-18(21)16-5-7-17(25-2)8-6-16/h5-9,11,15,18H,3-4,10,12-14H2,1-2H3
InChIKeyVPBIJKMWKWMYHE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.19
Rot. Bonds6

About 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one

4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one (PubChem CID 110098335) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
PubChem CID110098335
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
SMILESCOc1ccc(C2CN(C(=O)CCCn3ccnc3)CCN2C)cc1
InChIInChI=1S/C19H26N4O2/c1-21-12-13-23(19(24)4-3-10-22-11-9-20-15-22)14-18(21)16-5-7-17(25-2)8-6-16/h5-9,11,15,18H,3-4,10,12-14H2,1-2H3
InChIKeyVPBIJKMWKWMYHE-UHFFFAOYSA-N
XLogP2.19
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 70721511
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 70707433
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
CID 110109749
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
1-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 91779161
4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
CID 124954713

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one (CID 110098335) is 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one is COc1ccc(C2CN(C(=O)CCCn3ccnc3)CCN2C)cc1.
What is the InChIKey of 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
The InChIKey is VPBIJKMWKWMYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21-12-13-23(19(24)4-3-10-22-11-9-20-15-22)14-18(21)16-5-7-17(25-2)8-6-16/h5-9,11,15,18H,3-4,10,12-14H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 110098335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).