2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide

C16H25N5O2 — CID 46981201

IUPAC2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C3CCCC3)C(=O)C2)nn1C
InChIInChI=1S/C16H25N5O2/c1-12-9-14(18-19(12)2)17-15(22)10-20-7-8-21(16(23)11-20)13-5-3-4-6-13/h9,13H,3-8,10-11H2,1-2H3,(H,17,18,22)
InChIKeyAQXGGMAAOLAALX-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.75
Rot. Bonds4

About 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide

2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 46981201) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
PubChem CID46981201
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C3CCCC3)C(=O)C2)nn1C
InChIInChI=1S/C16H25N5O2/c1-12-9-14(18-19(12)2)17-15(22)10-20-7-8-21(16(23)11-20)13-5-3-4-6-13/h9,13H,3-8,10-11H2,1-2H3,(H,17,18,22)
InChIKeyAQXGGMAAOLAALX-UHFFFAOYSA-N
XLogP0.75
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide (CID 46981201) is 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C3CCCC3)C(=O)C2)nn1C.
What is the InChIKey of 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is AQXGGMAAOLAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12-9-14(18-19(12)2)17-15(22)10-20-7-8-21(16(23)11-20)13-5-3-4-6-13/h9,13H,3-8,10-11H2,1-2H3,(H,17,18,22).
What are the key properties of 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide?
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46981201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).