1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea

C18H25F2N3O — CID 71919617

IUPAC1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea
SMILESO=C(NC1CCN(C2CC2)CC1)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C18H25F2N3O/c19-17(20)13-23(12-14-4-2-1-3-5-14)18(24)21-15-8-10-22(11-9-15)16-6-7-16/h1-5,15-17H,6-13H2,(H,21,24)
InChIKeyUTWQZOUIQFWSTE-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.09
Rot. Bonds6

About 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea

1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea (PubChem CID 71919617) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea
PubChem CID71919617
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea
SMILESO=C(NC1CCN(C2CC2)CC1)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C18H25F2N3O/c19-17(20)13-23(12-14-4-2-1-3-5-14)18(24)21-15-8-10-22(11-9-15)16-6-7-16/h1-5,15-17H,6-13H2,(H,21,24)
InChIKeyUTWQZOUIQFWSTE-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea?
The IUPAC name of 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea (CID 71919617) is 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea is O=C(NC1CCN(C2CC2)CC1)N(Cc1ccccc1)CC(F)F.
What is the InChIKey of 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea?
The InChIKey is UTWQZOUIQFWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c19-17(20)13-23(12-14-4-2-1-3-5-14)18(24)21-15-8-10-22(11-9-15)16-6-7-16/h1-5,15-17H,6-13H2,(H,21,24).
What are the key properties of 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea?
1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea has a molecular weight of 337.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-cyclopropylpiperidin-4-yl)-1-(2,2-difluoroethyl)urea is sourced from PubChem (CID 71919617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).