2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide

C19H25N5O2 — CID 24817646

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)nn1C
InChIInChI=1S/C19H25N5O2/c1-14-10-16(22-23(14)2)12-21-18(25)11-17-19(26)20-8-9-24(17)13-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-13H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyDTZCVJUUXFQGMC-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.74
Rot. Bonds6

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide (PubChem CID 24817646) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
PubChem CID24817646
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)nn1C
InChIInChI=1S/C19H25N5O2/c1-14-10-16(22-23(14)2)12-21-18(25)11-17-19(26)20-8-9-24(17)13-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-13H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyDTZCVJUUXFQGMC-UHFFFAOYSA-N
XLogP0.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide (CID 24817646) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide is Cc1cc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)nn1C.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is DTZCVJUUXFQGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-10-16(22-23(14)2)12-21-18(25)11-17-19(26)20-8-9-24(17)13-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-13H2,1-2H3,(H,20,26)(H,21,25).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 24817646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).