3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one

C22H30N4O — CID 6224196

IUPAC3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
SMILESCCCC(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C22H30N4O/c1-2-7-21(26-13-11-23-19-26)18-22(27)25-16-14-24(15-17-25)12-6-10-20-8-4-3-5-9-20/h3-6,8-11,13,19,21H,2,7,12,14-18H2,1H3/b10-6+
InChIKeyQUNYQAXRPCMPSR-UXBLZVDNSA-N
MW366.51 g/mol
LogP3.47
Rot. Bonds8

About 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one

3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one (PubChem CID 6224196) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
PubChem CID6224196
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
SMILESCCCC(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C22H30N4O/c1-2-7-21(26-13-11-23-19-26)18-22(27)25-16-14-24(15-17-25)12-6-10-20-8-4-3-5-9-20/h3-6,8-11,13,19,21H,2,7,12,14-18H2,1H3/b10-6+
InChIKeyQUNYQAXRPCMPSR-UXBLZVDNSA-N
XLogP3.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]propane-1-sulfonamide
CID 112994586
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 110688701
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 55542864
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 78087560
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one (CID 6224196) is 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one is CCCC(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
The InChIKey is QUNYQAXRPCMPSR-UXBLZVDNSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-7-21(26-13-11-23-19-26)18-22(27)25-16-14-24(15-17-25)12-6-10-20-8-4-3-5-9-20/h3-6,8-11,13,19,21H,2,7,12,14-18H2,1H3/b10-6+.
What are the key properties of 3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.47, 8 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-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 6224196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).