1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide

C21H26F4N2O2 — CID 24791952

IUPAC1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)ccc1F)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H26F4N2O2/c22-18-9-8-16(21(23,24)25)11-15(18)12-26-20(29)14-7-10-19(28)27(13-14)17-5-3-1-2-4-6-17/h8-9,11,14,17H,1-7,10,12-13H2,(H,26,29)
InChIKeyOMGIZWUXUWLWJN-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.42
Rot. Bonds4

About 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791952) has the molecular formula C21H26F4N2O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791952
Molecular FormulaC21H26F4N2O2
Molecular Weight414.44 g/mol
Exact Mass414.19
IUPAC Name1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)ccc1F)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H26F4N2O2/c22-18-9-8-16(21(23,24)25)11-15(18)12-26-20(29)14-7-10-19(28)27(13-14)17-5-3-1-2-4-6-17/h8-9,11,14,17H,1-7,10,12-13H2,(H,26,29)
InChIKeyOMGIZWUXUWLWJN-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (CID 24791952) is 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cc(C(F)(F)F)ccc1F)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is OMGIZWUXUWLWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F4N2O2/c22-18-9-8-16(21(23,24)25)11-15(18)12-26-20(29)14-7-10-19(28)27(13-14)17-5-3-1-2-4-6-17/h8-9,11,14,17H,1-7,10,12-13H2,(H,26,29).
What are the key properties of 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).