1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

C19H28F3N3O — CID 55684161

IUPAC1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(C)(CNC(=O)NCCc1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C19H28F3N3O/c1-18(2,25-12-4-3-5-13-25)14-24-17(26)23-11-10-15-6-8-16(9-7-15)19(20,21)22/h6-9H,3-5,10-14H2,1-2H3,(H2,23,24,26)
InChIKeyINWOKYVNIVYEQX-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.81
Rot. Bonds6

About 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 55684161) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID55684161
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(C)(CNC(=O)NCCc1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C19H28F3N3O/c1-18(2,25-12-4-3-5-13-25)14-24-17(26)23-11-10-15-6-8-16(9-7-15)19(20,21)22/h6-9H,3-5,10-14H2,1-2H3,(H2,23,24,26)
InChIKeyINWOKYVNIVYEQX-UHFFFAOYSA-N
XLogP3.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 42934599
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 110622524
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 86931397
1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38234794
N-(2-methyl-2-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546273
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111503992
2-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111320737
1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 111486817

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 55684161) is 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is CC(C)(CNC(=O)NCCc1ccc(C(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is INWOKYVNIVYEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-18(2,25-12-4-3-5-13-25)14-24-17(26)23-11-10-15-6-8-16(9-7-15)19(20,21)22/h6-9H,3-5,10-14H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 371.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 55684161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).