1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C18H21F3N2O2 — CID 24793176

IUPAC1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)14-3-1-2-12(10-14)8-9-22-17(25)13-4-7-16(24)23(11-13)15-5-6-15/h1-3,10,13,15H,4-9,11H2,(H,22,25)
InChIKeyVOOXFSMFFZDMEM-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.77
Rot. Bonds5

About 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 24793176) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID24793176
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21F3N2O2/c19-18(20,21)14-3-1-2-12(10-14)8-9-22-17(25)13-4-7-16(24)23(11-13)15-5-6-15/h1-3,10,13,15H,4-9,11H2,(H,22,25)
InChIKeyVOOXFSMFFZDMEM-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 24793176) is 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is O=C(NCCc1cccc(C(F)(F)F)c1)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is VOOXFSMFFZDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c19-18(20,21)14-3-1-2-12(10-14)8-9-22-17(25)13-4-7-16(24)23(11-13)15-5-6-15/h1-3,10,13,15H,4-9,11H2,(H,22,25).
What are the key properties of 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).