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

C18H25F3N2O2 — CID 137363716

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-3-8-23-9-6-13(7-10-23)17(24)22-12-14-4-5-15(25-2)11-16(14)18(19,20)21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,22,24)
InChIKeyYXSDBYQEISUMKS-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.45
Rot. Bonds6

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

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide (PubChem CID 137363716) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide
PubChem CID137363716
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-3-8-23-9-6-13(7-10-23)17(24)22-12-14-4-5-15(25-2)11-16(14)18(19,20)21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,22,24)
InChIKeyYXSDBYQEISUMKS-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.45
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-propylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide (CID 137363716) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide is CCCN1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide?
The InChIKey is YXSDBYQEISUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-3-8-23-9-6-13(7-10-23)17(24)22-12-14-4-5-15(25-2)11-16(14)18(19,20)21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-propylpiperidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.45, 6 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-propylpiperidine-4-carboxamide is sourced from PubChem (CID 137363716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).