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

C17H31N5O2 — CID 100839085

IUPAC2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](CC)C1
InChIInChI=1S/C17H31N5O2/c1-4-8-22-16(6-7-18-22)19-17(24)13-20-9-10-21(11-14(3)23)15(5-2)12-20/h6-7,14-15,23H,4-5,8-13H2,1-3H3,(H,19,24)/t14-,15+/m1/s1
InChIKeyHIZWDBSTKZRXSG-CABCVRRESA-N
MW337.47 g/mol
LogP1.01
Rot. Bonds8

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

2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 100839085) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID100839085
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](CC)C1
InChIInChI=1S/C17H31N5O2/c1-4-8-22-16(6-7-18-22)19-17(24)13-20-9-10-21(11-14(3)23)15(5-2)12-20/h6-7,14-15,23H,4-5,8-13H2,1-3H3,(H,19,24)/t14-,15+/m1/s1
InChIKeyHIZWDBSTKZRXSG-CABCVRRESA-N
XLogP1.01
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (CID 100839085) is 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](CC)C1.
What is the InChIKey of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is HIZWDBSTKZRXSG-CABCVRRESA-N. The full InChI is InChI=1S/C17H31N5O2/c1-4-8-22-16(6-7-18-22)19-17(24)13-20-9-10-21(11-14(3)23)15(5-2)12-20/h6-7,14-15,23H,4-5,8-13H2,1-3H3,(H,19,24)/t14-,15+/m1/s1.
What are the key properties of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 100839085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).