N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide

C19H24N4O3 — CID 55566914

IUPACN-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N1CCN(CC(=O)NCC)CC1
InChIInChI=1S/C19H24N4O3/c1-3-20-17(24)12-21-8-10-22(11-9-21)18(25)13-23-14(2)15-6-4-5-7-16(15)19(23)26/h4-7H,2-3,8-13H2,1H3,(H,20,24)
InChIKeyHKPQSAQQAQBTQF-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.39
Rot. Bonds5

About N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55566914) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID55566914
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N1CCN(CC(=O)NCC)CC1
InChIInChI=1S/C19H24N4O3/c1-3-20-17(24)12-21-8-10-22(11-9-21)18(25)13-23-14(2)15-6-4-5-7-16(15)19(23)26/h4-7H,2-3,8-13H2,1H3,(H,20,24)
InChIKeyHKPQSAQQAQBTQF-UHFFFAOYSA-N
XLogP0.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylidene-2-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]isoindol-1-one
CID 87030569
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-3-methylideneisoindol-1-one
CID 18135913
3-methylidene-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]isoindol-1-one
CID 16622791
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157247
2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451858
2-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 55564152
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
2-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 55878650
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
CID 55802247
benzyl 4,7,10-tris[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 58987158

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide (CID 55566914) is N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(CC(=O)NCC)CC1.
What is the InChIKey of N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is HKPQSAQQAQBTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-20-17(24)12-21-8-10-22(11-9-21)18(25)13-23-14(2)15-6-4-5-7-16(15)19(23)26/h4-7H,2-3,8-13H2,1H3,(H,20,24).
What are the key properties of N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55566914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).