2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide

C17H29N3O2S — CID 98767316

IUPAC2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
SMILESCC[C@@H]1CN(CC(=O)NCCc2ccsc2)CCN1C[C@H](C)O
InChIInChI=1S/C17H29N3O2S/c1-3-16-11-19(7-8-20(16)10-14(2)21)12-17(22)18-6-4-15-5-9-23-13-15/h5,9,13-14,16,21H,3-4,6-8,10-12H2,1-2H3,(H,18,22)/t14-,16+/m0/s1
InChIKeyMFESKHGLHODKCU-GOEBONIOSA-N
MW339.51 g/mol
LogP1.18
Rot. Bonds8

About 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide

2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide (PubChem CID 98767316) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
PubChem CID98767316
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
SMILESCC[C@@H]1CN(CC(=O)NCCc2ccsc2)CCN1C[C@H](C)O
InChIInChI=1S/C17H29N3O2S/c1-3-16-11-19(7-8-20(16)10-14(2)21)12-17(22)18-6-4-15-5-9-23-13-15/h5,9,13-14,16,21H,3-4,6-8,10-12H2,1-2H3,(H,18,22)/t14-,16+/m0/s1
InChIKeyMFESKHGLHODKCU-GOEBONIOSA-N
XLogP1.18
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide (CID 98767316) is 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide is CC[C@@H]1CN(CC(=O)NCCc2ccsc2)CCN1C[C@H](C)O.
What is the InChIKey of 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The InChIKey is MFESKHGLHODKCU-GOEBONIOSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-3-16-11-19(7-8-20(16)10-14(2)21)12-17(22)18-6-4-15-5-9-23-13-15/h5,9,13-14,16,21H,3-4,6-8,10-12H2,1-2H3,(H,18,22)/t14-,16+/m0/s1.
What are the key properties of 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide has a molecular weight of 339.51 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 98767316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).