2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C16H29N5O2 — CID 95322887

IUPAC2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOCCN1CCN(CC(=O)Nc2ccnn2C(C)C)C[C@@H]1C
InChIInChI=1S/C16H29N5O2/c1-13(2)21-15(5-6-17-21)18-16(22)12-19-7-8-20(9-10-23-4)14(3)11-19/h5-6,13-14H,7-12H2,1-4H3,(H,18,22)/t14-/m0/s1
InChIKeyVINSGGVBMYUWTG-AWEZNQCLSA-N
MW323.44 g/mol
LogP1.05
Rot. Bonds7

About 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 95322887) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID95322887
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOCCN1CCN(CC(=O)Nc2ccnn2C(C)C)C[C@@H]1C
InChIInChI=1S/C16H29N5O2/c1-13(2)21-15(5-6-17-21)18-16(22)12-19-7-8-20(9-10-23-4)14(3)11-19/h5-6,13-14H,7-12H2,1-4H3,(H,18,22)/t14-/m0/s1
InChIKeyVINSGGVBMYUWTG-AWEZNQCLSA-N
XLogP1.05
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxy-3-methylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 114681188
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 124778693
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 9205498
2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98148838
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 115647959
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778787
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778855
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 102935920
methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate
CID 62026166
(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 124778984
2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95832102

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 95322887) is 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is COCCN1CCN(CC(=O)Nc2ccnn2C(C)C)C[C@@H]1C.
What is the InChIKey of 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is VINSGGVBMYUWTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-13(2)21-15(5-6-17-21)18-16(22)12-19-7-8-20(9-10-23-4)14(3)11-19/h5-6,13-14H,7-12H2,1-4H3,(H,18,22)/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 95322887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).