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

C21H28N2O2S — CID 134802229

IUPACN-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCCOCCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-2-25-14-12-22-21(24)19-6-3-4-13-23(19)16-17-8-10-18(11-9-17)20-7-5-15-26-20/h5,7-11,15,19H,2-4,6,12-14,16H2,1H3,(H,22,24)
InChIKeyBJEMCUQMWVXDHX-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.92
Rot. Bonds8

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

N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134802229) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134802229
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCCOCCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-2-25-14-12-22-21(24)19-6-3-4-13-23(19)16-17-8-10-18(11-9-17)20-7-5-15-26-20/h5,7-11,15,19H,2-4,6,12-14,16H2,1H3,(H,22,24)
InChIKeyBJEMCUQMWVXDHX-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.92
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-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (CID 134802229) is N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is CCOCCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is BJEMCUQMWVXDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-2-25-14-12-22-21(24)19-6-3-4-13-23(19)16-17-8-10-18(11-9-17)20-7-5-15-26-20/h5,7-11,15,19H,2-4,6,12-14,16H2,1H3,(H,22,24).
What are the key properties of N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134802229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).