4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide

C15H24N2O2S — CID 84595189

IUPAC4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCCc2ccsc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-2-15(12-18)5-8-17(9-6-15)14(19)16-7-3-13-4-10-20-11-13/h4,10-11,18H,2-3,5-9,12H2,1H3,(H,16,19)
InChIKeyLRRFPIZHWYYMGN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.48
Rot. Bonds5

About 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide

4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide (PubChem CID 84595189) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
PubChem CID84595189
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCCc2ccsc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-2-15(12-18)5-8-17(9-6-15)14(19)16-7-3-13-4-10-20-11-13/h4,10-11,18H,2-3,5-9,12H2,1H3,(H,16,19)
InChIKeyLRRFPIZHWYYMGN-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide (CID 84595189) is 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide is CCC1(CO)CCN(C(=O)NCCc2ccsc2)CC1.
What is the InChIKey of 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
The InChIKey is LRRFPIZHWYYMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-15(12-18)5-8-17(9-6-15)14(19)16-7-3-13-4-10-20-11-13/h4,10-11,18H,2-3,5-9,12H2,1H3,(H,16,19).
What are the key properties of 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide?
4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(hydroxymethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84595189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).