1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea

C17H24F3N3O — CID 68609241

IUPAC1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O/c1-16(2,3)23-10-8-14(9-11-23)22-15(24)21-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,8-11H2,1-3H3,(H2,21,22,24)
InChIKeyPZGZJMSXKZFLJB-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.09
Rot. Bonds2

About 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 68609241) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID68609241
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(C)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O/c1-16(2,3)23-10-8-14(9-11-23)22-15(24)21-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,8-11H2,1-3H3,(H2,21,22,24)
InChIKeyPZGZJMSXKZFLJB-UHFFFAOYSA-N
XLogP4.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 154114146
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24899022
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107585253
2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid
CID 143831234
1-[1-[2-[(2-methylphenyl)sulfonylamino]-3,4-dioxocyclobuten-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 176900418
1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
CID 62700602
1-[3-(1,1-difluoroethyl)phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 99823447
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 68609241) is 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea is CC(C)(C)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PZGZJMSXKZFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-16(2,3)23-10-8-14(9-11-23)22-15(24)21-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,8-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 343.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 68609241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).