2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C23H21N3O3S — CID 46970977

IUPAC2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3C(=O)CC(c4ccccc4)CC3=O)cc2)cs1
InChIInChI=1S/C23H21N3O3S/c1-15-24-20(14-30-15)17-7-9-19(10-8-17)25-21(27)13-26-22(28)11-18(12-23(26)29)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,25,27)
InChIKeyFVYQIOHXPJAVRY-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.99
Rot. Bonds5

About 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 46970977) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID46970977
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3C(=O)CC(c4ccccc4)CC3=O)cc2)cs1
InChIInChI=1S/C23H21N3O3S/c1-15-24-20(14-30-15)17-7-9-19(10-8-17)25-21(27)13-26-22(28)11-18(12-23(26)29)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,25,27)
InChIKeyFVYQIOHXPJAVRY-UHFFFAOYSA-N
XLogP3.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8541420
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
4-[[2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid
CID 28695753
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
2-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534010
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
N-(4-ethoxyphenyl)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695772
N-(3-methylphenyl)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695748
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 8534304
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 46970977) is 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)CN3C(=O)CC(c4ccccc4)CC3=O)cc2)cs1.
What is the InChIKey of 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is FVYQIOHXPJAVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-24-20(14-30-15)17-7-9-19(10-8-17)25-21(27)13-26-22(28)11-18(12-23(26)29)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,25,27).
What are the key properties of 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 46970977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).