1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea

C16H24FN3O — CID 43063561

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NN2C(C)CCCC2C)cc1F
InChIInChI=1S/C16H24FN3O/c1-11-7-8-14(9-15(11)17)10-18-16(21)19-20-12(2)5-4-6-13(20)3/h7-9,12-13H,4-6,10H2,1-3H3,(H2,18,19,21)
InChIKeyPNVFIPSNPPKMMS-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.11
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea

1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea (PubChem CID 43063561) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
PubChem CID43063561
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NN2C(C)CCCC2C)cc1F
InChIInChI=1S/C16H24FN3O/c1-11-7-8-14(9-15(11)17)10-18-16(21)19-20-12(2)5-4-6-13(20)3/h7-9,12-13H,4-6,10H2,1-3H3,(H2,18,19,21)
InChIKeyPNVFIPSNPPKMMS-UHFFFAOYSA-N
XLogP3.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea (CID 43063561) is 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NN2C(C)CCCC2C)cc1F.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
The InChIKey is PNVFIPSNPPKMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-7-8-14(9-15(11)17)10-18-16(21)19-20-12(2)5-4-6-13(20)3/h7-9,12-13H,4-6,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea has a molecular weight of 293.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea is sourced from PubChem (CID 43063561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).