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

C20H27N5O2 — CID 50956096

IUPAC2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCNC(=O)C2Cc2ccccc2)c1C
InChIInChI=1S/C20H27N5O2/c1-4-25-15(3)19(14(2)23-25)22-18(26)13-24-11-10-21-20(27)17(24)12-16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyNDHFZJCWJTVNGS-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.50
Rot. Bonds6

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

2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 50956096) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
PubChem CID50956096
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCNC(=O)C2Cc2ccccc2)c1C
InChIInChI=1S/C20H27N5O2/c1-4-25-15(3)19(14(2)23-25)22-18(26)13-24-11-10-21-20(27)17(24)12-16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyNDHFZJCWJTVNGS-UHFFFAOYSA-N
XLogP1.50
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (CID 50956096) is 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is CCn1nc(C)c(NC(=O)CN2CCNC(=O)C2Cc2ccccc2)c1C.
What is the InChIKey of 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is NDHFZJCWJTVNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-25-15(3)19(14(2)23-25)22-18(26)13-24-11-10-21-20(27)17(24)12-16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3,(H,21,27)(H,22,26).
What are the key properties of 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 50956096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).