ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate

C16H19F4N3O3 — CID 118396004

IUPACethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H19F4N3O3/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-12(13(17)9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)
InChIKeyXLMFYLPQZAFJLS-UHFFFAOYSA-N
MW377.34 g/mol
LogP3.59
Rot. Bonds3

About ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate

ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 118396004) has the molecular formula C16H19F4N3O3 and a molecular weight of 377.34 g/mol. Its IUPAC name is ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID118396004
Molecular FormulaC16H19F4N3O3
Molecular Weight377.34 g/mol
Exact Mass377.14
IUPAC Nameethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H19F4N3O3/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-12(13(17)9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)
InChIKeyXLMFYLPQZAFJLS-UHFFFAOYSA-N
XLogP3.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate (CID 118396004) is ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is XLMFYLPQZAFJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N3O3/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-12(13(17)9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24).
What are the key properties of ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 377.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 118396004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).