1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea

C21H23F2N3O2 — CID 20782216

IUPAC1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3cccc(F)c3)cc2F)CC1
InChIInChI=1S/C21H23F2N3O2/c1-14(27)26-10-8-18(9-11-26)25(2)21(28)24-20-7-6-16(13-19(20)23)15-4-3-5-17(22)12-15/h3-7,12-13,18H,8-11H2,1-2H3,(H,24,28)
InChIKeyOATFPZPXAIVJEU-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.11
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea

1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea (PubChem CID 20782216) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
PubChem CID20782216
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3cccc(F)c3)cc2F)CC1
InChIInChI=1S/C21H23F2N3O2/c1-14(27)26-10-8-18(9-11-26)25(2)21(28)24-20-7-6-16(13-19(20)23)15-4-3-5-17(22)12-15/h3-7,12-13,18H,8-11H2,1-2H3,(H,24,28)
InChIKeyOATFPZPXAIVJEU-UHFFFAOYSA-N
XLogP4.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10224124
1-(1-acetylpiperidin-4-yl)-3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methylurea
CID 10179396
3-[4-(3-fluorophenyl)phenyl]-1-(4-hydroxyiminocyclohexyl)-1-methylurea
CID 20782434
3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 142124765
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea
CID 20782431
3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea
CID 71048951
3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10158780
3-(2,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108063
1-[1-(2-aminoacetyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782190
3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
CID 10295548
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 60800156

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea (CID 20782216) is 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea is CC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3cccc(F)c3)cc2F)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea?
The InChIKey is OATFPZPXAIVJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-14(27)26-10-8-18(9-11-26)25(2)21(28)24-20-7-6-16(13-19(20)23)15-4-3-5-17(22)12-15/h3-7,12-13,18H,8-11H2,1-2H3,(H,24,28).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea?
1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea has a molecular weight of 387.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea is sourced from PubChem (CID 20782216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).