N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide

C14H23F3N2O2 — CID 43698414

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C1CCCCN1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-21-11-5-3-4-10(8-11)19-13(20)12-6-1-2-7-18-12/h10-12,18H,1-9H2,(H,19,20)
InChIKeyCCWZKWOKQFNBOC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.13
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide (PubChem CID 43698414) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide
PubChem CID43698414
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C1CCCCN1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-21-11-5-3-4-10(8-11)19-13(20)12-6-1-2-7-18-12/h10-12,18H,1-9H2,(H,19,20)
InChIKeyCCWZKWOKQFNBOC-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide (CID 43698414) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide is O=C(NC1CCCC(OCC(F)(F)F)C1)C1CCCCN1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide?
The InChIKey is CCWZKWOKQFNBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)9-21-11-5-3-4-10(8-11)19-13(20)12-6-1-2-7-18-12/h10-12,18H,1-9H2,(H,19,20).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide is sourced from PubChem (CID 43698414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).