1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea

C14H23F2N3O2 — CID 25069498

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H23F2N3O2/c1-10(20)19-8-4-12(5-9-19)18-13(21)17-11-2-6-14(15,16)7-3-11/h11-12H,2-9H2,1H3,(H2,17,18,21)
InChIKeyXLWBNCVIWYHDDZ-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.87
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea

1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea (PubChem CID 25069498) has the molecular formula C14H23F2N3O2 and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea
PubChem CID25069498
Molecular FormulaC14H23F2N3O2
Molecular Weight303.35 g/mol
Exact Mass303.18
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H23F2N3O2/c1-10(20)19-8-4-12(5-9-19)18-13(21)17-11-2-6-14(15,16)7-3-11/h11-12H,2-9H2,1H3,(H2,17,18,21)
InChIKeyXLWBNCVIWYHDDZ-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea (CID 25069498) is 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea is CC(=O)N1CCC(NC(=O)NC2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea?
The InChIKey is XLWBNCVIWYHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O2/c1-10(20)19-8-4-12(5-9-19)18-13(21)17-11-2-6-14(15,16)7-3-11/h11-12H,2-9H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea has a molecular weight of 303.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea is sourced from PubChem (CID 25069498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).