2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate

C11H17F3N2O4 — CID 61066497

IUPAC2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)NC1CCCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O4/c1-2-19-9(17)15-8-4-3-5-16(6-8)10(18)20-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyXNWMTNWLAWKDRE-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.90
Rot. Bonds3

About 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate

2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate (PubChem CID 61066497) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
PubChem CID61066497
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)NC1CCCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O4/c1-2-19-9(17)15-8-4-3-5-16(6-8)10(18)20-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyXNWMTNWLAWKDRE-UHFFFAOYSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
CID 65173275
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
3-O-methyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,3-dicarboxylate
CID 78924639
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
CID 64822043
ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate
CID 83995011

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate (CID 61066497) is 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate is CCOC(=O)NC1CCCN(C(=O)OCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate?
The InChIKey is XNWMTNWLAWKDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-2-19-9(17)15-8-4-3-5-16(6-8)10(18)20-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate has a molecular weight of 298.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 61066497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).