N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C17H21N5O — CID 2546490

IUPACN-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1
InChIInChI=1S/C17H21N5O/c23-16(20-13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-18-7-4-8-19-17/h1-8H,9-14H2,(H,20,23)
InChIKeyJEMTWDLGKLDSJI-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.92
Rot. Bonds5

About N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 2546490) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID2546490
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1
InChIInChI=1S/C17H21N5O/c23-16(20-13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-18-7-4-8-19-17/h1-8H,9-14H2,(H,20,23)
InChIKeyJEMTWDLGKLDSJI-UHFFFAOYSA-N
XLogP0.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 2546490) is N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is JEMTWDLGKLDSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-16(20-13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-18-7-4-8-19-17/h1-8H,9-14H2,(H,20,23).
What are the key properties of N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2546490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).