N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C22H25FN2O4 — CID 24794098

IUPACN-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCOc3ccccc3F)CCC2=O)c1
InChIInChI=1S/C22H25FN2O4/c1-28-18-6-4-5-16(13-18)14-25-15-17(9-10-21(25)26)22(27)24-11-12-29-20-8-3-2-7-19(20)23/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,27)
InChIKeySWZRVJJAMKTTMM-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794098) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794098
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCOc3ccccc3F)CCC2=O)c1
InChIInChI=1S/C22H25FN2O4/c1-28-18-6-4-5-16(13-18)14-25-15-17(9-10-21(25)26)22(27)24-11-12-29-20-8-3-2-7-19(20)23/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,27)
InChIKeySWZRVJJAMKTTMM-UHFFFAOYSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-fluorophenoxy)ethyl]-1-[(3-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-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24794098) is N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NCCOc3ccccc3F)CCC2=O)c1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is SWZRVJJAMKTTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-28-18-6-4-5-16(13-18)14-25-15-17(9-10-21(25)26)22(27)24-11-12-29-20-8-3-2-7-19(20)23/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).