1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea

C20H33N3O2 — CID 126441274

IUPAC1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea
SMILESCCc1ccc(CN(CC)C(=O)NCCCN2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C20H33N3O2/c1-3-17-8-10-18(11-9-17)15-23(4-2)20(25)21-12-6-14-22-13-5-7-19(24)16-22/h8-11,19,24H,3-7,12-16H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyYHASQRJESYMVIU-LJQANCHMSA-N
MW347.50 g/mol
LogP2.63
Rot. Bonds8

About 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea

1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea (PubChem CID 126441274) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea
PubChem CID126441274
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea
SMILESCCc1ccc(CN(CC)C(=O)NCCCN2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C20H33N3O2/c1-3-17-8-10-18(11-9-17)15-23(4-2)20(25)21-12-6-14-22-13-5-7-19(24)16-22/h8-11,19,24H,3-7,12-16H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyYHASQRJESYMVIU-LJQANCHMSA-N
XLogP2.63
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]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

1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126445216
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)urea
CID 119059632
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 131931427
1-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]-3-[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]urea
CID 125167351
1-[2-(dimethylamino)ethyl]-3-[4-(4-ethylpiperazin-1-yl)butyl]-1-[(4-fluorophenyl)methyl]urea
CID 55912295
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95221283
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
CID 95120625

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea?
The IUPAC name of 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea (CID 126441274) is 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea?
The canonical SMILES for 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea is CCc1ccc(CN(CC)C(=O)NCCCN2CCC[C@@H](O)C2)cc1.
What is the InChIKey of 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea?
The InChIKey is YHASQRJESYMVIU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-3-17-8-10-18(11-9-17)15-23(4-2)20(25)21-12-6-14-22-13-5-7-19(24)16-22/h8-11,19,24H,3-7,12-16H2,1-2H3,(H,21,25)/t19-/m1/s1.
What are the key properties of 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea?
1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea has a molecular weight of 347.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(4-ethylphenyl)methyl]-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]urea is sourced from PubChem (CID 126441274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).