N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide

C19H25N5O2 — CID 133404758

IUPACN-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(c3ncc(C)cn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-3-26-17-6-4-16(5-7-17)22-18(25)14-23-8-10-24(11-9-23)19-20-12-15(2)13-21-19/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,25)
InChIKeyGVXMXUVLWUITJU-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.94
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 133404758) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID133404758
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(c3ncc(C)cn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-3-26-17-6-4-16(5-7-17)22-18(25)14-23-8-10-24(11-9-23)19-20-12-15(2)13-21-19/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,25)
InChIKeyGVXMXUVLWUITJU-UHFFFAOYSA-N
XLogP1.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-[[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]methyl]prop-2-enoic acid
CID 166356607
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 133272011
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(4-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78846993
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
N-(4-ethoxyphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120705085
N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133404732

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide (CID 133404758) is N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCN(c3ncc(C)cn3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is GVXMXUVLWUITJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-26-17-6-4-16(5-7-17)22-18(25)14-23-8-10-24(11-9-23)19-20-12-15(2)13-21-19/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133404758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).