2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate

C13H19F3N2O3 — CID 47021882

IUPAC2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(NCC1CC1)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)8-21-12(20)18-5-3-10(4-6-18)11(19)17-7-9-1-2-9/h9-10H,1-8H2,(H,17,19)
InChIKeyPWOHEQZMDHVWNL-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.92
Rot. Bonds4

About 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 47021882) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate
PubChem CID47021882
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(NCC1CC1)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)8-21-12(20)18-5-3-10(4-6-18)11(19)17-7-9-1-2-9/h9-10H,1-8H2,(H,17,19)
InChIKeyPWOHEQZMDHVWNL-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate (CID 47021882) is 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate is O=C(NCC1CC1)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is PWOHEQZMDHVWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)8-21-12(20)18-5-3-10(4-6-18)11(19)17-7-9-1-2-9/h9-10H,1-8H2,(H,17,19).
What are the key properties of 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 308.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 47021882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).