[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea

C22H26FN3O2 — CID 42953247

IUPAC[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea
SMILESNC(=O)NC(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C22H26FN3O2/c23-19-9-5-4-8-18(19)20(25-22(24)28)15-21(27)26-12-10-17(11-13-26)14-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H3,24,25,28)
InChIKeyJASOTNKXKGYLEJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.41
Rot. Bonds6

About [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea

[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea (PubChem CID 42953247) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea
PubChem CID42953247
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea
SMILESNC(=O)NC(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C22H26FN3O2/c23-19-9-5-4-8-18(19)20(25-22(24)28)15-21(27)26-12-10-17(11-13-26)14-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H3,24,25,28)
InChIKeyJASOTNKXKGYLEJ-UHFFFAOYSA-N
XLogP3.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]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-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 119041966
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
CID 119621791
[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea
CID 42997460
(3S)-1-[(3R)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134807
(3S)-1-[(3S)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134805
[3-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea;hydrochloride
CID 119538615
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea?
The IUPAC name of [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea (CID 42953247) is [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea.
What is the SMILES notation for [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea?
The canonical SMILES for [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea is NC(=O)NC(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea?
The InChIKey is JASOTNKXKGYLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-9-5-4-8-18(19)20(25-22(24)28)15-21(27)26-12-10-17(11-13-26)14-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H3,24,25,28).
What are the key properties of [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea?
[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea has a molecular weight of 383.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea is sourced from PubChem (CID 42953247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).