N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C13H22F3N3O2 — CID 114908559

IUPACN-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H22F3N3O2/c14-13(15,16)10-1-2-11(18-9-10)12(20)17-3-4-19-5-7-21-8-6-19/h10-11,18H,1-9H2,(H,17,20)
InChIKeyBSBWOTCLULGLTG-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.37
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908559) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908559
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC NameN-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H22F3N3O2/c14-13(15,16)10-1-2-11(18-9-10)12(20)17-3-4-19-5-7-21-8-6-19/h10-11,18H,1-9H2,(H,17,20)
InChIKeyBSBWOTCLULGLTG-UHFFFAOYSA-N
XLogP0.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908559) is N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NCCN1CCOCC1)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is BSBWOTCLULGLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c14-13(15,16)10-1-2-11(18-9-10)12(20)17-3-4-19-5-7-21-8-6-19/h10-11,18H,1-9H2,(H,17,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).