2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide

C21H27N5O2 — CID 24790364

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(C)nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccccc2)n1
InChIInChI=1S/C21H27N5O2/c1-15-12-16(2)25-19(24-15)8-9-22-20(27)13-18-21(28)23-10-11-26(18)14-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeySPQYKHPOLZHYKI-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.14
Rot. Bonds7

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide (PubChem CID 24790364) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
PubChem CID24790364
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(C)nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccccc2)n1
InChIInChI=1S/C21H27N5O2/c1-15-12-16(2)25-19(24-15)8-9-22-20(27)13-18-21(28)23-10-11-26(18)14-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeySPQYKHPOLZHYKI-UHFFFAOYSA-N
XLogP1.14
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.14
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-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide (CID 24790364) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide is Cc1cc(C)nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccccc2)n1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
The InChIKey is SPQYKHPOLZHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-12-16(2)25-19(24-15)8-9-22-20(27)13-18-21(28)23-10-11-26(18)14-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 1.14, 7 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-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 24790364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).