1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone

C17H22N4O — CID 124953208

IUPAC1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc[nH]c2C)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-13-16(19-12-18-13)10-21-9-8-20(14(2)22)11-17(21)15-6-4-3-5-7-15/h3-7,12,17H,8-11H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyDTXPKCGTCHVTCD-KRWDZBQOSA-N
MW298.39 g/mol
LogP2.12
Rot. Bonds3

About 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone

1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone (PubChem CID 124953208) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
PubChem CID124953208
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc[nH]c2C)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-13-16(19-12-18-13)10-21-9-8-20(14(2)22)11-17(21)15-6-4-3-5-7-15/h3-7,12,17H,8-11H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyDTXPKCGTCHVTCD-KRWDZBQOSA-N
XLogP2.12
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
1-[(3R)-3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 124974764
1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 110098235
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124981538
1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125008540
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055
1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124966168

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone (CID 124953208) is 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nc[nH]c2C)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is DTXPKCGTCHVTCD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-16(19-12-18-13)10-21-9-8-20(14(2)22)11-17(21)15-6-4-3-5-7-15/h3-7,12,17H,8-11H2,1-2H3,(H,18,19)/t17-/m0/s1.
What are the key properties of 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124953208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).