1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea

C14H20FN3O — CID 43523415

IUPAC1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccccc1F)C1CCNCC1
InChIInChI=1S/C14H20FN3O/c1-10(11-6-8-16-9-7-11)17-14(19)18-13-5-3-2-4-12(13)15/h2-5,10-11,16H,6-9H2,1H3,(H2,17,18,19)
InChIKeyXRXBUYJDJJQVKR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.34
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea

1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea (PubChem CID 43523415) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
PubChem CID43523415
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccccc1F)C1CCNCC1
InChIInChI=1S/C14H20FN3O/c1-10(11-6-8-16-9-7-11)17-14(19)18-13-5-3-2-4-12(13)15/h2-5,10-11,16H,6-9H2,1H3,(H2,17,18,19)
InChIKeyXRXBUYJDJJQVKR-UHFFFAOYSA-N
XLogP2.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523234
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977256
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
CID 47133216
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266
2-hydroxy-N-(1-piperidin-4-ylethyl)benzamide
CID 43523239
3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79701630
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
2,5-difluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523182
2-fluoro-5-methyl-N-(1-piperidin-4-ylethyl)benzamide
CID 62515843
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea (CID 43523415) is 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea is CC(NC(=O)Nc1ccccc1F)C1CCNCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea?
The InChIKey is XRXBUYJDJJQVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10(11-6-8-16-9-7-11)17-14(19)18-13-5-3-2-4-12(13)15/h2-5,10-11,16H,6-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea?
1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea has a molecular weight of 265.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea is sourced from PubChem (CID 43523415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).