N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

C23H36N4O2 — CID 55410792

IUPACN-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C23H36N4O2/c1-3-19-9-5-6-11-21(19)24-22(28)17-25-13-15-26(16-14-25)18-23(29)27-12-8-7-10-20(27)4-2/h5-6,9,11,20H,3-4,7-8,10,12-18H2,1-2H3,(H,24,28)
InChIKeyRROSXQZJGPBLLO-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.60
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 55410792) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID55410792
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C23H36N4O2/c1-3-19-9-5-6-11-21(19)24-22(28)17-25-13-15-26(16-14-25)18-23(29)27-12-8-7-10-20(27)4-2/h5-6,9,11,20H,3-4,7-8,10,12-18H2,1-2H3,(H,24,28)
InChIKeyRROSXQZJGPBLLO-UHFFFAOYSA-N
XLogP2.60
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
N-(2-ethylphenyl)-2-[4-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]piperazin-1-yl]acetamide
CID 124880513
2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
CID 19654708
2-[4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8795277
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 16605926
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773132
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (CID 55410792) is N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCCC2CC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is RROSXQZJGPBLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-3-19-9-5-6-11-21(19)24-22(28)17-25-13-15-26(16-14-25)18-23(29)27-12-8-7-10-20(27)4-2/h5-6,9,11,20H,3-4,7-8,10,12-18H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.60, 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-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55410792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).