1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea

C22H27F2N3O — CID 70111080

IUPAC1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea
SMILESCC1C(c2ccccc2F)CCCN1CCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H27F2N3O/c1-16-19(20-6-2-3-8-21(20)24)7-4-14-27(16)15-5-13-25-22(28)26-18-11-9-17(23)10-12-18/h2-3,6,8-12,16,19H,4-5,7,13-15H2,1H3,(H2,25,26,28)
InChIKeyKDSDFUSKTWPDMD-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.74
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea

1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea (PubChem CID 70111080) has the molecular formula C22H27F2N3O and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea
PubChem CID70111080
Molecular FormulaC22H27F2N3O
Molecular Weight387.47 g/mol
Exact Mass387.21
IUPAC Name1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea
SMILESCC1C(c2ccccc2F)CCCN1CCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H27F2N3O/c1-16-19(20-6-2-3-8-21(20)24)7-4-14-27(16)15-5-13-25-22(28)26-18-11-9-17(23)10-12-18/h2-3,6,8-12,16,19H,4-5,7,13-15H2,1H3,(H2,25,26,28)
InChIKeyKDSDFUSKTWPDMD-UHFFFAOYSA-N
XLogP4.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
1-(4-fluoro-3-methoxyphenyl)-3-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]urea
CID 97455332
1-(4-fluorophenyl)-3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393448
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-(4-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]urea
CID 59323215
1-(4-fluorophenyl)-3-[3-[(1R,4S,6S)-6-[(4-fluorophenyl)methyl]-2-azabicyclo[2.2.2]octan-2-yl]propyl]urea
CID 68826558
(2S)-1-[3-[(4-cyanophenyl)carbamoylamino]propyl]pyrrolidine-2-carboxamide
CID 95760863

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea (CID 70111080) is 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea is CC1C(c2ccccc2F)CCCN1CCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea?
The InChIKey is KDSDFUSKTWPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O/c1-16-19(20-6-2-3-8-21(20)24)7-4-14-27(16)15-5-13-25-22(28)26-18-11-9-17(23)10-12-18/h2-3,6,8-12,16,19H,4-5,7,13-15H2,1H3,(H2,25,26,28).
What are the key properties of 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea?
1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea has a molecular weight of 387.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-[3-(2-fluorophenyl)-2-methylpiperidin-1-yl]propyl]urea is sourced from PubChem (CID 70111080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).