N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

C27H37FN2O2 — CID 56661774

IUPACN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(CCc2cccc(OC)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H37FN2O2/c1-4-27(5-2,23-9-11-24(28)12-10-23)20-29-26(31)22-14-17-30(18-15-22)16-13-21-7-6-8-25(19-21)32-3/h6-12,19,22H,4-5,13-18,20H2,1-3H3,(H,29,31)
InChIKeyDFPXHEPZOCDQRP-UHFFFAOYSA-N
MW440.60 g/mol
LogP4.96
Rot. Bonds10

About N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 56661774) has the molecular formula C27H37FN2O2 and a molecular weight of 440.60 g/mol. Its IUPAC name is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID56661774
Molecular FormulaC27H37FN2O2
Molecular Weight440.60 g/mol
Exact Mass440.28
IUPAC NameN-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CCN(CCc2cccc(OC)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H37FN2O2/c1-4-27(5-2,23-9-11-24(28)12-10-23)20-29-26(31)22-14-17-30(18-15-22)16-13-21-7-6-8-25(19-21)32-3/h6-12,19,22H,4-5,13-18,20H2,1-3H3,(H,29,31)
InChIKeyDFPXHEPZOCDQRP-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 56661774) is N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is CCC(CC)(CNC(=O)C1CCN(CCc2cccc(OC)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is DFPXHEPZOCDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2O2/c1-4-27(5-2,23-9-11-24(28)12-10-23)20-29-26(31)22-14-17-30(18-15-22)16-13-21-7-6-8-25(19-21)32-3/h6-12,19,22H,4-5,13-18,20H2,1-3H3,(H,29,31).
What are the key properties of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 440.60 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 56661774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).