2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide

C19H25N5O3 — CID 56890166

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
SMILESCOCc1cc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)[nH]n1
InChIInChI=1S/C19H25N5O3/c1-27-13-16-9-15(22-23-16)11-21-18(25)10-17-19(26)20-7-8-24(17)12-14-5-3-2-4-6-14/h2-6,9,17H,7-8,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,23)
InChIKeyVNFDRCNZUWHBQG-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.56
Rot. Bonds8

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide (PubChem CID 56890166) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
PubChem CID56890166
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
SMILESCOCc1cc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)[nH]n1
InChIInChI=1S/C19H25N5O3/c1-27-13-16-9-15(22-23-16)11-21-18(25)10-17-19(26)20-7-8-24(17)12-14-5-3-2-4-6-14/h2-6,9,17H,7-8,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,23)
InChIKeyVNFDRCNZUWHBQG-UHFFFAOYSA-N
XLogP0.56
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.56
H-Bond Donors ≤ 53
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-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide (CID 56890166) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide is COCc1cc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)[nH]n1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
The InChIKey is VNFDRCNZUWHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-27-13-16-9-15(22-23-16)11-21-18(25)10-17-19(26)20-7-8-24(17)12-14-5-3-2-4-6-14/h2-6,9,17H,7-8,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,23).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 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-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide is sourced from PubChem (CID 56890166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).