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

C16H26BrN5O2 — CID 118747452

IUPAC2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide
SMILESBr.Cc1c(NC(=O)CN2CCN(C3CCCC3)C(=O)C2)cnn1C
InChIInChI=1S/C16H25N5O2.BrH/c1-12-14(9-17-19(12)2)18-15(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,18,22);1H
InChIKeyVBCMBJNGSGNIKH-UHFFFAOYSA-N
MW400.32 g/mol
LogP1.33
Rot. Bonds4

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

2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide (PubChem CID 118747452) has the molecular formula C16H26BrN5O2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide.

Molecular Properties

Compound Name2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide
PubChem CID118747452
Molecular FormulaC16H26BrN5O2
Molecular Weight400.32 g/mol
Exact Mass399.13
IUPAC Name2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide
SMILESBr.Cc1c(NC(=O)CN2CCN(C3CCCC3)C(=O)C2)cnn1C
InChIInChI=1S/C16H25N5O2.BrH/c1-12-14(9-17-19(12)2)18-15(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,18,22);1H
InChIKeyVBCMBJNGSGNIKH-UHFFFAOYSA-N
XLogP1.33
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 51.33
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-4-yl)acetamide;hydrobromide?
The IUPAC name of 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide (CID 118747452) is 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide.
What is the SMILES notation for 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide?
The canonical SMILES for 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide is Br.Cc1c(NC(=O)CN2CCN(C3CCCC3)C(=O)C2)cnn1C.
What is the InChIKey of 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide?
The InChIKey is VBCMBJNGSGNIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.BrH/c1-12-14(9-17-19(12)2)18-15(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,18,22);1H.
What are the key properties of 2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide?
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide;hydrobromide has a molecular weight of 400.32 g/mol, XLogP of 1.33, 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-4-yl)acetamide;hydrobromide is sourced from PubChem (CID 118747452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).