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

C22H22F4N2O3 — CID 24794155

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC1=O
InChIInChI=1S/C22H22F4N2O3/c1-31-19-5-3-2-4-15(19)12-28-13-16(6-7-20(28)29)21(30)27-11-14-8-17(22(24,25)26)10-18(23)9-14/h2-5,8-10,16H,6-7,11-13H2,1H3,(H,27,30)
InChIKeyMIBWTVOLECAVIP-UHFFFAOYSA-N
MW438.42 g/mol
LogP3.91
Rot. Bonds6

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

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794155) has the molecular formula C22H22F4N2O3 and a molecular weight of 438.42 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794155
Molecular FormulaC22H22F4N2O3
Molecular Weight438.42 g/mol
Exact Mass438.16
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC1=O
InChIInChI=1S/C22H22F4N2O3/c1-31-19-5-3-2-4-15(19)12-28-13-16(6-7-20(28)29)21(30)27-11-14-8-17(22(24,25)26)10-18(23)9-14/h2-5,8-10,16H,6-7,11-13H2,1H3,(H,27,30)
InChIKeyMIBWTVOLECAVIP-UHFFFAOYSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24794155) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC1=O.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is MIBWTVOLECAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O3/c1-31-19-5-3-2-4-15(19)12-28-13-16(6-7-20(28)29)21(30)27-11-14-8-17(22(24,25)26)10-18(23)9-14/h2-5,8-10,16H,6-7,11-13H2,1H3,(H,27,30).
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 438.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).