1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea

C15H21F2N5O2 — CID 136536189

IUPAC1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
SMILESCc1cc(N2CCCC(NC(=O)NC3CC(F)(F)C3)C2=O)n(C)n1
InChIInChI=1S/C15H21F2N5O2/c1-9-6-12(21(2)20-9)22-5-3-4-11(13(22)23)19-14(24)18-10-7-15(16,17)8-10/h6,10-11H,3-5,7-8H2,1-2H3,(H2,18,19,24)
InChIKeyMGDSREUWKFZIGU-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.32
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea

1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea (PubChem CID 136536189) has the molecular formula C15H21F2N5O2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
PubChem CID136536189
Molecular FormulaC15H21F2N5O2
Molecular Weight341.36 g/mol
Exact Mass341.17
IUPAC Name1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
SMILESCc1cc(N2CCCC(NC(=O)NC3CC(F)(F)C3)C2=O)n(C)n1
InChIInChI=1S/C15H21F2N5O2/c1-9-6-12(21(2)20-9)22-5-3-4-11(13(22)23)19-14(24)18-10-7-15(16,17)8-10/h6,10-11H,3-5,7-8H2,1-2H3,(H2,18,19,24)
InChIKeyMGDSREUWKFZIGU-UHFFFAOYSA-N
XLogP1.32
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea (CID 136536189) is 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea is Cc1cc(N2CCCC(NC(=O)NC3CC(F)(F)C3)C2=O)n(C)n1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
The InChIKey is MGDSREUWKFZIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O2/c1-9-6-12(21(2)20-9)22-5-3-4-11(13(22)23)19-14(24)18-10-7-15(16,17)8-10/h6,10-11H,3-5,7-8H2,1-2H3,(H2,18,19,24).
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?
1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea has a molecular weight of 341.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 136536189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).