1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one

C23H31N3O — CID 113078845

IUPAC1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCN(CC)c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-3-24(4-2)21-11-13-22(14-12-21)25-16-18-26(19-17-25)23(27)15-10-20-8-6-5-7-9-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3
InChIKeyLQIOMRAHUNJSRL-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.81
Rot. Bonds7

About 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one

1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 113078845) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID113078845
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCCN(CC)c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-3-24(4-2)21-11-13-22(14-12-21)25-16-18-26(19-17-25)23(27)15-10-20-8-6-5-7-9-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3
InChIKeyLQIOMRAHUNJSRL-UHFFFAOYSA-N
XLogP3.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002161
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113077319
(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078848
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one (CID 113078845) is 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one is CCN(CC)c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is LQIOMRAHUNJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-24(4-2)21-11-13-22(14-12-21)25-16-18-26(19-17-25)23(27)15-10-20-8-6-5-7-9-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3.
What are the key properties of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 365.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 113078845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).