N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide

C16H25N3O3S — CID 71787123

IUPACN'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
SMILESCOCCNC(=O)C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-11-7-18-16(21)15(20)17-6-10-19-8-4-13(5-9-19)14-3-2-12-23-14/h2-3,12-13H,4-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyWSWZYLMXDMZYHF-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.81
Rot. Bonds7

About N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide

N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide (PubChem CID 71787123) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
PubChem CID71787123
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
SMILESCOCCNC(=O)C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-11-7-18-16(21)15(20)17-6-10-19-8-4-13(5-9-19)14-3-2-12-23-14/h2-3,12-13H,4-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyWSWZYLMXDMZYHF-UHFFFAOYSA-N
XLogP0.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The IUPAC name of N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide (CID 71787123) is N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide is COCCNC(=O)C(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The InChIKey is WSWZYLMXDMZYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-22-11-7-18-16(21)15(20)17-6-10-19-8-4-13(5-9-19)14-3-2-12-23-14/h2-3,12-13H,4-11H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide has a molecular weight of 339.46 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide is sourced from PubChem (CID 71787123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).