4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate

C14H15F3N3O3- — CID 154114146

IUPAC4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)[O-])CC1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)9-1-3-10(4-2-9)18-12(21)19-11-5-7-20(8-6-11)13(22)23/h1-4,11H,5-8H2,(H,22,23)(H2,18,19,21)/p-1
InChIKeyNAVRVFDGAOKVPX-UHFFFAOYSA-M
MW330.29 g/mol
LogP1.63
Rot. Bonds2

About 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate

4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 154114146) has the molecular formula C14H15F3N3O3- and a molecular weight of 330.29 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID154114146
Molecular FormulaC14H15F3N3O3-
Molecular Weight330.29 g/mol
Exact Mass330.11
IUPAC Name4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)[O-])CC1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)9-1-3-10(4-2-9)18-12(21)19-11-5-7-20(8-6-11)13(22)23/h1-4,11H,5-8H2,(H,22,23)(H2,18,19,21)/p-1
InChIKeyNAVRVFDGAOKVPX-UHFFFAOYSA-M
XLogP1.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 68609241
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
2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid
CID 143831234
1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107585253
1-[1-(2-iodoacetyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68950094
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71680197
1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 144808234
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-[4-(trifluoromethoxy)phenyl]-3-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]urea
CID 118409098

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate (CID 154114146) is 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate is O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)[O-])CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is NAVRVFDGAOKVPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)9-1-3-10(4-2-9)18-12(21)19-11-5-7-20(8-6-11)13(22)23/h1-4,11H,5-8H2,(H,22,23)(H2,18,19,21)/p-1.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 330.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 154114146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).