N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C20H28FN3O4 — CID 24791533

IUPACN-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C20H28FN3O4/c21-17-2-4-18(5-3-17)28-12-7-22-20(26)16-1-6-19(25)24(15-16)9-8-23-10-13-27-14-11-23/h2-5,16H,1,6-15H2,(H,22,26)
InChIKeyMIOOBDVJUITNEK-UHFFFAOYSA-N
MW393.46 g/mol
LogP0.89
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24791533) has the molecular formula C20H28FN3O4 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24791533
Molecular FormulaC20H28FN3O4
Molecular Weight393.46 g/mol
Exact Mass393.21
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C20H28FN3O4/c21-17-2-4-18(5-3-17)28-12-7-22-20(26)16-1-6-19(25)24(15-16)9-8-23-10-13-27-14-11-23/h2-5,16H,1,6-15H2,(H,22,26)
InChIKeyMIOOBDVJUITNEK-UHFFFAOYSA-N
XLogP0.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 2935429
1-[(3-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 24792062
1-Cyclopropyl-5-{[4-(3-fluorophenoxy)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24793193
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24793939
N-[2-(2-fluorophenoxy)ethyl]-1-(3-methoxybenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794098
1-cycloheptyl-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24818924
4-(2-fluorophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49093446
2-(2-fluorophenoxy)-N-[2-(morpholin-4-yl)ethyl]butanamide
CID 6498974
2-(4-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2541990
N-methyl-1-[3-(4-morpholinyl)propyl]-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24790200
N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-piperidinecarboxamide
CID 24790501
6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24793100

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 24791533) is N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is O=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MIOOBDVJUITNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4/c21-17-2-4-18(5-3-17)28-12-7-22-20(26)16-1-6-19(25)24(15-16)9-8-23-10-13-27-14-11-23/h2-5,16H,1,6-15H2,(H,22,26).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).