(3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide

C19H19F3N2O3 — CID 51957116

IUPAC(3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H19F3N2O3/c1-11-5-6-13(17(23)25)10-24(11)18(26)16-8-7-15(27-16)12-3-2-4-14(9-12)19(20,21)22/h2-4,7-9,11,13H,5-6,10H2,1H3,(H2,23,25)/t11-,13-/m0/s1
InChIKeyPEXWGUJULWWFKE-AAEUAGOBSA-N
MW380.37 g/mol
LogP3.69
Rot. Bonds3

About (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide

(3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide (PubChem CID 51957116) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
PubChem CID51957116
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name(3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H19F3N2O3/c1-11-5-6-13(17(23)25)10-24(11)18(26)16-8-7-15(27-16)12-3-2-4-14(9-12)19(20,21)22/h2-4,7-9,11,13H,5-6,10H2,1H3,(H2,23,25)/t11-,13-/m0/s1
InChIKeyPEXWGUJULWWFKE-AAEUAGOBSA-N
XLogP3.69
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide (CID 51957116) is (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide is C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is PEXWGUJULWWFKE-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-11-5-6-13(17(23)25)10-24(11)18(26)16-8-7-15(27-16)12-3-2-4-14(9-12)19(20,21)22/h2-4,7-9,11,13H,5-6,10H2,1H3,(H2,23,25)/t11-,13-/m0/s1.
What are the key properties of (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide?
(3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 51957116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).