1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

C19H26N4O — CID 110098235

IUPAC1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nccn2C(C)C)C(c2ccccc2)C1
InChIInChI=1S/C19H26N4O/c1-15(2)23-10-9-20-19(23)14-22-12-11-21(16(3)24)13-18(22)17-7-5-4-6-8-17/h4-10,15,18H,11-14H2,1-3H3
InChIKeyKSUZJTOMEMUGKP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 110098235) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID110098235
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nccn2C(C)C)C(c2ccccc2)C1
InChIInChI=1S/C19H26N4O/c1-15(2)23-10-9-20-19(23)14-22-12-11-21(16(3)24)13-18(22)17-7-5-4-6-8-17/h4-10,15,18H,11-14H2,1-3H3
InChIKeyKSUZJTOMEMUGKP-UHFFFAOYSA-N
XLogP2.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 124974764
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124941396
1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 110098224
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124953208
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055
1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124981538
2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 120756439
(3S,5R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393602

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 110098235) is 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nccn2C(C)C)C(c2ccccc2)C1.
What is the InChIKey of 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is KSUZJTOMEMUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)23-10-9-20-19(23)14-22-12-11-21(16(3)24)13-18(22)17-7-5-4-6-8-17/h4-10,15,18H,11-14H2,1-3H3.
What are the key properties of 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 326.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110098235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).