1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C26H41N3O4 — CID 55629214

IUPAC1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCCCN2CC(C)OC(C)C2)C1c1ccccc1OC
InChIInChI=1S/C26H41N3O4/c1-5-6-16-29-24(30)13-12-22(25(29)21-10-7-8-11-23(21)32-4)26(31)27-14-9-15-28-17-19(2)33-20(3)18-28/h7-8,10-11,19-20,22,25H,5-6,9,12-18H2,1-4H3,(H,27,31)
InChIKeyWXUBIXOKWJPYSV-UHFFFAOYSA-N
MW459.63 g/mol
LogP3.39
Rot. Bonds10

About 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 55629214) has the molecular formula C26H41N3O4 and a molecular weight of 459.63 g/mol. Its IUPAC name is 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID55629214
Molecular FormulaC26H41N3O4
Molecular Weight459.63 g/mol
Exact Mass459.31
IUPAC Name1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCCCN2CC(C)OC(C)C2)C1c1ccccc1OC
InChIInChI=1S/C26H41N3O4/c1-5-6-16-29-24(30)13-12-22(25(29)21-10-7-8-11-23(21)32-4)26(31)27-14-9-15-28-17-19(2)33-20(3)18-28/h7-8,10-11,19-20,22,25H,5-6,9,12-18H2,1-4H3,(H,27,31)
InChIKeyWXUBIXOKWJPYSV-UHFFFAOYSA-N
XLogP3.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 55629214) is 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NCCCN2CC(C)OC(C)C2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WXUBIXOKWJPYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O4/c1-5-6-16-29-24(30)13-12-22(25(29)21-10-7-8-11-23(21)32-4)26(31)27-14-9-15-28-17-19(2)33-20(3)18-28/h7-8,10-11,19-20,22,25H,5-6,9,12-18H2,1-4H3,(H,27,31).
What are the key properties of 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 55629214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).