N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide

C22H28N4O2 — CID 27852073

IUPACN-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2cccnc2)CC1
InChIInChI=1S/C22H28N4O2/c1-2-19-7-3-4-8-20(19)24-21(27)17-25-12-14-26(15-13-25)22(28)10-9-18-6-5-11-23-16-18/h3-8,11,16H,2,9-10,12-15,17H2,1H3,(H,24,27)
InChIKeyWKHAMCDTGBWAPT-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.36
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 27852073) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
PubChem CID27852073
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2cccnc2)CC1
InChIInChI=1S/C22H28N4O2/c1-2-19-7-3-4-8-20(19)24-21(27)17-25-12-14-26(15-13-25)22(28)10-9-18-6-5-11-23-16-18/h3-8,11,16H,2,9-10,12-15,17H2,1H3,(H,24,27)
InChIKeyWKHAMCDTGBWAPT-UHFFFAOYSA-N
XLogP2.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27860014
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 86931722
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
N-(2-ethylphenyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]acetamide
CID 55789750
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide (CID 27852073) is N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2cccnc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is WKHAMCDTGBWAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-19-7-3-4-8-20(19)24-21(27)17-25-12-14-26(15-13-25)22(28)10-9-18-6-5-11-23-16-18/h3-8,11,16H,2,9-10,12-15,17H2,1H3,(H,24,27).
What are the key properties of N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27852073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).