(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

C15H24N2O2S — CID 133110763

IUPAC(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCCc2cccs2)CC[C@@]1(C)O
InChIInChI=1S/C15H24N2O2S/c1-14(2)11-17(9-7-15(14,3)19)13(18)16-8-6-12-5-4-10-20-12/h4-5,10,19H,6-9,11H2,1-3H3,(H,16,18)/t15-/m1/s1
InChIKeyDDUXANRGNYSPKA-OAHLLOKOSA-N
MW296.44 g/mol
LogP2.48
Rot. Bonds3

About (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (PubChem CID 133110763) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
PubChem CID133110763
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCCc2cccs2)CC[C@@]1(C)O
InChIInChI=1S/C15H24N2O2S/c1-14(2)11-17(9-7-15(14,3)19)13(18)16-8-6-12-5-4-10-20-12/h4-5,10,19H,6-9,11H2,1-3H3,(H,16,18)/t15-/m1/s1
InChIKeyDDUXANRGNYSPKA-OAHLLOKOSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (CID 133110763) is (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is CC1(C)CN(C(=O)NCCc2cccs2)CC[C@@]1(C)O.
What is the InChIKey of (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The InChIKey is DDUXANRGNYSPKA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-14(2)11-17(9-7-15(14,3)19)13(18)16-8-6-12-5-4-10-20-12/h4-5,10,19H,6-9,11H2,1-3H3,(H,16,18)/t15-/m1/s1.
What are the key properties of (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 133110763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).