1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea

C15H19F2N3O — CID 86986878

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
SMILESO=C(Nc1c(F)cccc1F)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H19F2N3O/c16-12-2-1-3-13(17)14(12)19-15(21)18-10-6-8-20(9-7-10)11-4-5-11/h1-3,10-11H,4-9H2,(H2,18,19,21)
InChIKeyBSMACDAKDXOKSL-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.71
Rot. Bonds3

About 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea

1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea (PubChem CID 86986878) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
PubChem CID86986878
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
SMILESO=C(Nc1c(F)cccc1F)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H19F2N3O/c16-12-2-1-3-13(17)14(12)19-15(21)18-10-6-8-20(9-7-10)11-4-5-11/h1-3,10-11H,4-9H2,(H2,18,19,21)
InChIKeyBSMACDAKDXOKSL-UHFFFAOYSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124886303
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
CID 113252784
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 108896619
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea (CID 86986878) is 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea is O=C(Nc1c(F)cccc1F)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea?
The InChIKey is BSMACDAKDXOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-12-2-1-3-13(17)14(12)19-15(21)18-10-6-8-20(9-7-10)11-4-5-11/h1-3,10-11H,4-9H2,(H2,18,19,21).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea?
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea has a molecular weight of 295.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea is sourced from PubChem (CID 86986878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).