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

C21H32N2O — CID 5310767

IUPAC2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H32N2O/c1-3-5-13-20(4-2)21(24)23-17-15-22(16-18-23)14-9-12-19-10-7-6-8-11-19/h6-12,20H,3-5,13-18H2,1-2H3/b12-9+
InChIKeyUNSIDJBKRBHJGF-FMIVXFBMSA-N
MW328.50 g/mol
LogP4.06
Rot. Bonds8

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

2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one (PubChem CID 5310767) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
PubChem CID5310767
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H32N2O/c1-3-5-13-20(4-2)21(24)23-17-15-22(16-18-23)14-9-12-19-10-7-6-8-11-19/h6-12,20H,3-5,13-18H2,1-2H3/b12-9+
InChIKeyUNSIDJBKRBHJGF-FMIVXFBMSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one (CID 5310767) is 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
The InChIKey is UNSIDJBKRBHJGF-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H32N2O/c1-3-5-13-20(4-2)21(24)23-17-15-22(16-18-23)14-9-12-19-10-7-6-8-11-19/h6-12,20H,3-5,13-18H2,1-2H3/b12-9+.
What are the key properties of 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one?
2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one has a molecular weight of 328.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 5310767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).