N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

C20H26N2O2S — CID 134798481

IUPACN-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H26N2O2S/c1-24-13-11-21-20(23)18-5-2-3-12-22(18)15-16-7-9-17(10-8-16)19-6-4-14-25-19/h4,6-10,14,18H,2-3,5,11-13,15H2,1H3,(H,21,23)
InChIKeyKJOMEFRPHFIQKS-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.53
Rot. Bonds7

About N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134798481) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134798481
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCOCCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H26N2O2S/c1-24-13-11-21-20(23)18-5-2-3-12-22(18)15-16-7-9-17(10-8-16)19-6-4-14-25-19/h4,6-10,14,18H,2-3,5,11-13,15H2,1H3,(H,21,23)
InChIKeyKJOMEFRPHFIQKS-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (CID 134798481) is N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is COCCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is KJOMEFRPHFIQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-24-13-11-21-20(23)18-5-2-3-12-22(18)15-16-7-9-17(10-8-16)19-6-4-14-25-19/h4,6-10,14,18H,2-3,5,11-13,15H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134798481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).