1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea

C29H44N4O — CID 10226760

IUPAC1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
SMILESCCCCCCCCNCCCN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C29H44N4O/c1-2-3-4-5-6-12-20-30-21-13-22-33-23-18-26(19-24-33)31-29(34)32-28-17-11-10-16-27(28)25-14-8-7-9-15-25/h7-11,14-17,26,30H,2-6,12-13,18-24H2,1H3,(H2,31,32,34)
InChIKeyUTMWBXJYOIRQAT-UHFFFAOYSA-N
MW464.70 g/mol
LogP6.28
Rot. Bonds14

About 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea

1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea (PubChem CID 10226760) has the molecular formula C29H44N4O and a molecular weight of 464.70 g/mol. Its IUPAC name is 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
PubChem CID10226760
Molecular FormulaC29H44N4O
Molecular Weight464.70 g/mol
Exact Mass464.35
IUPAC Name1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
SMILESCCCCCCCCNCCCN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C29H44N4O/c1-2-3-4-5-6-12-20-30-21-13-22-33-23-18-26(19-24-33)31-29(34)32-28-17-11-10-16-27(28)25-14-8-7-9-15-25/h7-11,14-17,26,30H,2-6,12-13,18-24H2,1H3,(H2,31,32,34)
InChIKeyUTMWBXJYOIRQAT-UHFFFAOYSA-N
XLogP6.28
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.70
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)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-[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-2-(hydroxymethyl)phenyl]ethyl]amino]nonyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 11342445
1-(2-phenylphenyl)-3-[1-[3-(4-phenyl-4-propanoylpiperidin-1-yl)propyl]piperidin-4-yl]urea
CID 10280903
1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10024565
1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 20598464
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
1-[1-[2-hydroxy-3-[2-hydroxyethyl(pentyl)amino]propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10184490
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
1-(2-phenylphenyl)-3-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461532
1-[1-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10159533
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
N-[1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidin-3-yl]-N-methylacetamide
CID 10117446

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea (CID 10226760) is 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea is CCCCCCCCNCCCN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
The InChIKey is UTMWBXJYOIRQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O/c1-2-3-4-5-6-12-20-30-21-13-22-33-23-18-26(19-24-33)31-29(34)32-28-17-11-10-16-27(28)25-14-8-7-9-15-25/h7-11,14-17,26,30H,2-6,12-13,18-24H2,1H3,(H2,31,32,34).
What are the key properties of 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea?
1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea has a molecular weight of 464.70 g/mol, XLogP of 6.28, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 10226760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).