1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea

C8H14F3N3O — CID 82810862

IUPAC1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea
SMILESCNC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C8H14F3N3O/c1-12-7(15)14-5-2-3-6(13-4-5)8(9,10)11/h5-6,13H,2-4H2,1H3,(H2,12,14,15)
InChIKeyKGHJZOQMYWLSDS-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea

1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea (PubChem CID 82810862) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea
PubChem CID82810862
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea
SMILESCNC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C8H14F3N3O/c1-12-7(15)14-5-2-3-6(13-4-5)8(9,10)11/h5-6,13H,2-4H2,1H3,(H2,12,14,15)
InChIKeyKGHJZOQMYWLSDS-UHFFFAOYSA-N
XLogP0.60
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 113374757
1-(4-fluorophenyl)-3-[6-(trifluoromethyl)piperidin-3-yl]urea
CID 82794523
4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
CID 82811943
2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 112602539
N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
CID 82811806
1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
1-methyl-3-piperidin-4-ylurea
CID 18759970
1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 82816995
1-methyl-3-pyrazolidin-4-ylurea
CID 70272773
N-[6-(trifluoromethyl)piperidin-3-yl]butane-1-sulfonamide
CID 82812636
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
The IUPAC name of 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea (CID 82810862) is 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
The canonical SMILES for 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea is CNC(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
The InChIKey is KGHJZOQMYWLSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-12-7(15)14-5-2-3-6(13-4-5)8(9,10)11/h5-6,13H,2-4H2,1H3,(H2,12,14,15).
What are the key properties of 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea?
1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea has a molecular weight of 225.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea is sourced from PubChem (CID 82810862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).