N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide

C18H23F3N2O3 — CID 133081968

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O3/c1-3-16(24)23-8-6-12(7-9-23)17(25)22-11-13-4-5-14(26-2)10-15(13)18(19,20)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,25)
InChIKeyIJNCJYJSEFDKFC-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.98
Rot. Bonds5

About N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide (PubChem CID 133081968) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide
PubChem CID133081968
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O3/c1-3-16(24)23-8-6-12(7-9-23)17(25)22-11-13-4-5-14(26-2)10-15(13)18(19,20)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,25)
InChIKeyIJNCJYJSEFDKFC-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide (CID 133081968) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide?
The InChIKey is IJNCJYJSEFDKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-3-16(24)23-8-6-12(7-9-23)17(25)22-11-13-4-5-14(26-2)10-15(13)18(19,20)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 133081968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).