1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea

C15H27F2N3O2 — CID 56825418

IUPAC1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea
SMILESCCCN(CC(F)F)C(=O)NC(C)C(=O)N1CCCCC1C
InChIInChI=1S/C15H27F2N3O2/c1-4-8-19(10-13(16)17)15(22)18-12(3)14(21)20-9-6-5-7-11(20)2/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyMVKIGVBLOTWOGA-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.46
Rot. Bonds6

About 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea

1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea (PubChem CID 56825418) has the molecular formula C15H27F2N3O2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea
PubChem CID56825418
Molecular FormulaC15H27F2N3O2
Molecular Weight319.40 g/mol
Exact Mass319.21
IUPAC Name1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea
SMILESCCCN(CC(F)F)C(=O)NC(C)C(=O)N1CCCCC1C
InChIInChI=1S/C15H27F2N3O2/c1-4-8-19(10-13(16)17)15(22)18-12(3)14(21)20-9-6-5-7-11(20)2/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyMVKIGVBLOTWOGA-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea (CID 56825418) is 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea is CCCN(CC(F)F)C(=O)NC(C)C(=O)N1CCCCC1C.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea?
The InChIKey is MVKIGVBLOTWOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O2/c1-4-8-19(10-13(16)17)15(22)18-12(3)14(21)20-9-6-5-7-11(20)2/h11-13H,4-10H2,1-3H3,(H,18,22).
What are the key properties of 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea?
1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea has a molecular weight of 319.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea is sourced from PubChem (CID 56825418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).