1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea

C18H28N4O2 — CID 136577136

IUPAC1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESCCNC(=O)NC(Cc1ccccc1)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C18H28N4O2/c1-3-19-18(24)20-16(14-15-8-6-5-7-9-15)17(23)22-12-10-21(4-2)11-13-22/h5-9,16H,3-4,10-14H2,1-2H3,(H2,19,20,24)
InChIKeySOTRXZQVJMRYKL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.08
Rot. Bonds6

About 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea

1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 136577136) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID136577136
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESCCNC(=O)NC(Cc1ccccc1)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C18H28N4O2/c1-3-19-18(24)20-16(14-15-8-6-5-7-9-15)17(23)22-12-10-21(4-2)11-13-22/h5-9,16H,3-4,10-14H2,1-2H3,(H2,19,20,24)
InChIKeySOTRXZQVJMRYKL-UHFFFAOYSA-N
XLogP1.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
[4-[(2R)-3-(4-benzylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]methylcarbamic acid
CID 155024982
N-[1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56572676
[1-[4-[(4-ethylsulfonylphenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 90230348
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
2-(2-chloroanilino)-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813509
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
2-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843978
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea (CID 136577136) is 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea is CCNC(=O)NC(Cc1ccccc1)C(=O)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is SOTRXZQVJMRYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-19-18(24)20-16(14-15-8-6-5-7-9-15)17(23)22-12-10-21(4-2)11-13-22/h5-9,16H,3-4,10-14H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea?
1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 332.45 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 136577136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).