5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide

C25H31FN2O2 — CID 42869827

IUPAC5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NCCc2ccccc2OC)CC(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C25H31FN2O2/c1-4-13-28-16-21(20-9-10-23(26)18(2)14-20)15-22(17-28)25(29)27-12-11-19-7-5-6-8-24(19)30-3/h4-10,14,21-22H,1,11-13,15-17H2,2-3H3,(H,27,29)
InChIKeyFDKOTPAAMBIPPC-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.09
Rot. Bonds8

About 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide

5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide (PubChem CID 42869827) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide
PubChem CID42869827
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NCCc2ccccc2OC)CC(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C25H31FN2O2/c1-4-13-28-16-21(20-9-10-23(26)18(2)14-20)15-22(17-28)25(29)27-12-11-19-7-5-6-8-24(19)30-3/h4-10,14,21-22H,1,11-13,15-17H2,2-3H3,(H,27,29)
InChIKeyFDKOTPAAMBIPPC-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870413
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
(3R,5S)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93000799
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866616
(3S,5S)-5-(4-fluoro-3-methylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996949
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42869899
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide (CID 42869827) is 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide is C=CCN1CC(C(=O)NCCc2ccccc2OC)CC(c2ccc(F)c(C)c2)C1.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is FDKOTPAAMBIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-4-13-28-16-21(20-9-10-23(26)18(2)14-20)15-22(17-28)25(29)27-12-11-19-7-5-6-8-24(19)30-3/h4-10,14,21-22H,1,11-13,15-17H2,2-3H3,(H,27,29).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 42869827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).