2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide

C15H24N2O2S — CID 75444905

IUPAC2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1cccs1)N1CCCCC1CCO
InChIInChI=1S/C15H24N2O2S/c18-11-8-13-5-1-2-10-17(13)15(19)16-9-3-6-14-7-4-12-20-14/h4,7,12-13,18H,1-3,5-6,8-11H2,(H,16,19)
InChIKeyNQWLVXBZFPEMAO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.63
Rot. Bonds6

About 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide

2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide (PubChem CID 75444905) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide
PubChem CID75444905
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1cccs1)N1CCCCC1CCO
InChIInChI=1S/C15H24N2O2S/c18-11-8-13-5-1-2-10-17(13)15(19)16-9-3-6-14-7-4-12-20-14/h4,7,12-13,18H,1-3,5-6,8-11H2,(H,16,19)
InChIKeyNQWLVXBZFPEMAO-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide (CID 75444905) is 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide is O=C(NCCCc1cccs1)N1CCCCC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
The InChIKey is NQWLVXBZFPEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c18-11-8-13-5-1-2-10-17(13)15(19)16-9-3-6-14-7-4-12-20-14/h4,7,12-13,18H,1-3,5-6,8-11H2,(H,16,19).
What are the key properties of 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide?
2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 75444905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).