3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea

C15H22FN3O — CID 43187196

IUPAC3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
SMILESCN(CCC1CCCCN1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H22FN3O/c1-19(11-9-12-6-4-5-10-17-12)15(20)18-14-8-3-2-7-13(14)16/h2-3,7-8,12,17H,4-6,9-11H2,1H3,(H,18,20)
InChIKeyISUGOPNOYDBJQL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.82
Rot. Bonds4

About 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea

3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea (PubChem CID 43187196) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
PubChem CID43187196
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
SMILESCN(CCC1CCCCN1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H22FN3O/c1-19(11-9-12-6-4-5-10-17-12)15(20)18-14-8-3-2-7-13(14)16/h2-3,7-8,12,17H,4-6,9-11H2,1H3,(H,18,20)
InChIKeyISUGOPNOYDBJQL-UHFFFAOYSA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629687
3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 107653392
3-(2-fluorophenyl)-1-(2-methoxyethyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 106613441
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
3,4-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187173
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187167
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613136
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea (CID 43187196) is 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea is CN(CCC1CCCCN1)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea?
The InChIKey is ISUGOPNOYDBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19(11-9-12-6-4-5-10-17-12)15(20)18-14-8-3-2-7-13(14)16/h2-3,7-8,12,17H,4-6,9-11H2,1H3,(H,18,20).
What are the key properties of 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea?
3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea has a molecular weight of 279.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea is sourced from PubChem (CID 43187196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).