N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide

C24H33N5O2 — CID 112799747

IUPACN-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)CCc2ccccn2)CC1
InChIInChI=1S/C24H33N5O2/c1-3-20-8-4-5-10-22(20)26-23(30)18-28-14-16-29(17-15-28)24(31)19-27(2)13-11-21-9-6-7-12-25-21/h4-10,12H,3,11,13-19H2,1-2H3,(H,26,30)
InChIKeyCIAAMSVNVVVYJV-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.90
Rot. Bonds9

About N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 112799747) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide
PubChem CID112799747
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)CCc2ccccn2)CC1
InChIInChI=1S/C24H33N5O2/c1-3-20-8-4-5-10-22(20)26-23(30)18-28-14-16-29(17-15-28)24(31)19-27(2)13-11-21-9-6-7-12-25-21/h4-10,12H,3,11,13-19H2,1-2H3,(H,26,30)
InChIKeyCIAAMSVNVVVYJV-UHFFFAOYSA-N
XLogP1.90
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide (CID 112799747) is N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)CCc2ccccn2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is CIAAMSVNVVVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-20-8-4-5-10-22(20)26-23(30)18-28-14-16-29(17-15-28)24(31)19-27(2)13-11-21-9-6-7-12-25-21/h4-10,12H,3,11,13-19H2,1-2H3,(H,26,30).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 112799747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).