2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide

C25H34N4O3 — CID 78827991

IUPAC2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C25H34N4O3/c1-4-29(5-2)25(31)19-28-16-14-27(15-17-28)18-24(30)26-22-8-6-7-9-23(22)32-21-12-10-20(3)11-13-21/h6-13H,4-5,14-19H2,1-3H3,(H,26,30)
InChIKeyAZDWPCCHZNBLCR-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.21
Rot. Bonds9

About 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide (PubChem CID 78827991) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
PubChem CID78827991
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C25H34N4O3/c1-4-29(5-2)25(31)19-28-16-14-27(15-17-28)18-24(30)26-22-8-6-7-9-23(22)32-21-12-10-20(3)11-13-21/h6-13H,4-5,14-19H2,1-3H3,(H,26,30)
InChIKeyAZDWPCCHZNBLCR-UHFFFAOYSA-N
XLogP3.21
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide
CID 55915074
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-phenoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902986
N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 100643134
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773212
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 56574726
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
2-(2-methylmorpholin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 46677615
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide (CID 78827991) is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide is CCN(CC)C(=O)CN1CCN(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is AZDWPCCHZNBLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-4-29(5-2)25(31)19-28-16-14-27(15-17-28)18-24(30)26-22-8-6-7-9-23(22)32-21-12-10-20(3)11-13-21/h6-13H,4-5,14-19H2,1-3H3,(H,26,30).
What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide?
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 78827991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).