N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C13H19F3N2O2 — CID 114908934

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CC2CCC1O2)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)7-1-3-9(17-6-7)12(19)18-10-5-8-2-4-11(10)20-8/h7-11,17H,1-6H2,(H,18,19)
InChIKeyONLMECWQIHNWKY-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.35
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908934) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908934
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CC2CCC1O2)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)7-1-3-9(17-6-7)12(19)18-10-5-8-2-4-11(10)20-8/h7-11,17H,1-6H2,(H,18,19)
InChIKeyONLMECWQIHNWKY-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690
N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908529
(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119327692
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908719
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 98873434
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908898
N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106293083
N-(1,1-dioxothian-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908870
N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908781

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908934) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NC1CC2CCC1O2)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is ONLMECWQIHNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c14-13(15,16)7-1-3-9(17-6-7)12(19)18-10-5-8-2-4-11(10)20-8/h7-11,17H,1-6H2,(H,18,19).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).