3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C17H22F3N3O2 — CID 45196736

IUPAC3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-3-5-14(6-4-13)21-16(24)23-7-1-2-15(12-23)22-8-10-25-11-9-22/h3-6,15H,1-2,7-12H2,(H,21,24)
InChIKeyBJSIPTPFYJNVGY-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.03
Rot. Bonds2

About 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 45196736) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID45196736
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-3-5-14(6-4-13)21-16(24)23-7-1-2-15(12-23)22-8-10-25-11-9-22/h3-6,15H,1-2,7-12H2,(H,21,24)
InChIKeyBJSIPTPFYJNVGY-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 45196736) is 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is BJSIPTPFYJNVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)13-3-5-14(6-4-13)21-16(24)23-7-1-2-15(12-23)22-8-10-25-11-9-22/h3-6,15H,1-2,7-12H2,(H,21,24).
What are the key properties of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 45196736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).