2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide

C22H25N3O3 — CID 113097440

IUPAC2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide
SMILESO=C(CCc1ccccc1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c26-20(12-11-18-7-3-1-4-8-18)22(28)23-17-21(27)25-15-13-24(14-16-25)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,28)
InChIKeyUIZQKPUNMGWFJQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.65
Rot. Bonds7

About 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide

2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide (PubChem CID 113097440) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide
PubChem CID113097440
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide
SMILESO=C(CCc1ccccc1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c26-20(12-11-18-7-3-1-4-8-18)22(28)23-17-21(27)25-15-13-24(14-16-25)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,28)
InChIKeyUIZQKPUNMGWFJQ-UHFFFAOYSA-N
XLogP1.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-4-phenylbutanamide
CID 113097698
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172217
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(3-phenylpropyl)guanidine
CID 111200102
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-benzyl-2-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110953222
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-[2-(4-chlorophenyl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002113
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
CID 110348001
2-benzyl-1-ethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110953224

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide (CID 113097440) is 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide is O=C(CCc1ccccc1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide?
The InChIKey is UIZQKPUNMGWFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-20(12-11-18-7-3-1-4-8-18)22(28)23-17-21(27)25-15-13-24(14-16-25)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,28).
What are the key properties of 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide?
2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide has a molecular weight of 379.46 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 113097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).