1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

C21H25FN4O2 — CID 120609351

IUPAC1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1CCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c22-16-6-8-17(9-7-16)24-21(28)25-18-11-13-26(14-12-18)20(27)10-5-15-3-1-2-4-19(15)23/h1-4,6-9,18H,5,10-14,23H2,(H2,24,25,28)
InChIKeyMLXNGTIPPXHUAY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.15
Rot. Bonds5

About 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 120609351) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
PubChem CID120609351
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1CCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c22-16-6-8-17(9-7-16)24-21(28)25-18-11-13-26(14-12-18)20(27)10-5-15-3-1-2-4-19(15)23/h1-4,6-9,18H,5,10-14,23H2,(H2,24,25,28)
InChIKeyMLXNGTIPPXHUAY-UHFFFAOYSA-N
XLogP3.15
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea
CID 95289565
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 120610859
3-(2-aminophenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120608667
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 46592898
3-(2-aminophenyl)-1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120613445
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734475
1-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734449
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (CID 120609351) is 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is Nc1ccccc1CCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is MLXNGTIPPXHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-16-6-8-17(9-7-16)24-21(28)25-18-11-13-26(14-12-18)20(27)10-5-15-3-1-2-4-19(15)23/h1-4,6-9,18H,5,10-14,23H2,(H2,24,25,28).
What are the key properties of 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 384.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 120609351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).