2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H31N5O2 — CID 124813298

IUPAC2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOCCN1CCN(CC(=O)Nc2c(C)nn(C)c2C)C[C@H]1C
InChIInChI=1S/C17H31N5O2/c1-6-24-10-9-22-8-7-21(11-13(22)2)12-16(23)18-17-14(3)19-20(5)15(17)4/h13H,6-12H2,1-5H3,(H,18,23)/t13-/m1/s1
InChIKeyZJGYWSNPIFFDTR-CYBMUJFWSA-N
MW337.47 g/mol
LogP1.02
Rot. Bonds7

About 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 124813298) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID124813298
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOCCN1CCN(CC(=O)Nc2c(C)nn(C)c2C)C[C@H]1C
InChIInChI=1S/C17H31N5O2/c1-6-24-10-9-22-8-7-21(11-13(22)2)12-16(23)18-17-14(3)19-20(5)15(17)4/h13H,6-12H2,1-5H3,(H,18,23)/t13-/m1/s1
InChIKeyZJGYWSNPIFFDTR-CYBMUJFWSA-N
XLogP1.02
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778787
ethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxylate
CID 51223560
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 11931992
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63267860
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 115648416
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 124840360
2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95352390
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63248998
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95350413

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 124813298) is 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCOCCN1CCN(CC(=O)Nc2c(C)nn(C)c2C)C[C@H]1C.
What is the InChIKey of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ZJGYWSNPIFFDTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-6-24-10-9-22-8-7-21(11-13(22)2)12-16(23)18-17-14(3)19-20(5)15(17)4/h13H,6-12H2,1-5H3,(H,18,23)/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 124813298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).