1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea

C10H18F3N3O — CID 116655575

IUPAC1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN1CCCC(N(C)C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-15-5-3-4-8(6-15)16(2)9(17)14-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyZQJRTHXUZAYCKH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.28
Rot. Bonds2

About 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea

1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116655575) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116655575
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN1CCCC(N(C)C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O/c1-15-5-3-4-8(6-15)16(2)9(17)14-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyZQJRTHXUZAYCKH-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113231769
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
1-methyl-1-(oxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115668200
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea (CID 116655575) is 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea is CN1CCCC(N(C)C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZQJRTHXUZAYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-15-5-3-4-8(6-15)16(2)9(17)14-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116655575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).