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

C14H21F3N2O3 — CID 47016949

IUPAC2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H21F3N2O3/c1-9(10-2-3-10)18-12(20)11-4-6-19(7-5-11)13(21)22-8-14(15,16)17/h9-11H,2-8H2,1H3,(H,18,20)
InChIKeyHZPWPSHTYQDCNJ-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.31
Rot. Bonds4

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

2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 47016949) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate
PubChem CID47016949
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H21F3N2O3/c1-9(10-2-3-10)18-12(20)11-4-6-19(7-5-11)13(21)22-8-14(15,16)17/h9-11H,2-8H2,1H3,(H,18,20)
InChIKeyHZPWPSHTYQDCNJ-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.31
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-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate (CID 47016949) is 2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate is CC(NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)C1CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is HZPWPSHTYQDCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-9(10-2-3-10)18-12(20)11-4-6-19(7-5-11)13(21)22-8-14(15,16)17/h9-11H,2-8H2,1H3,(H,18,20).
What are the key properties of 2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 322.33 g/mol, XLogP of 2.31, 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-(1-cyclopropylethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 47016949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).