2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C24H36N4O4S — CID 31298051

IUPAC2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C24H36N4O4S/c1-2-19-5-3-4-6-22(19)25-23(29)17-26-12-14-28(15-13-26)24(30)20-7-10-27(11-8-20)21-9-16-33(31,32)18-21/h3-6,20-21H,2,7-18H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyGYUPLQOTMBAZDA-OAQYLSRUSA-N
MW476.64 g/mol
LogP1.23
Rot. Bonds6

About 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 31298051) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID31298051
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC Name2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1
InChIInChI=1S/C24H36N4O4S/c1-2-19-5-3-4-6-22(19)25-23(29)17-26-12-14-28(15-13-26)24(30)20-7-10-27(11-8-20)21-9-16-33(31,32)18-21/h3-6,20-21H,2,7-18H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyGYUPLQOTMBAZDA-OAQYLSRUSA-N
XLogP1.23
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)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

2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 86844281
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 30633399
2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 16605926
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
1-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 45354861
2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 17395764
N-[4-(azepan-1-yl)phenyl]-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide
CID 22108504
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 112822036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 31298051) is 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is GYUPLQOTMBAZDA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H36N4O4S/c1-2-19-5-3-4-6-22(19)25-23(29)17-26-12-14-28(15-13-26)24(30)20-7-10-27(11-8-20)21-9-16-33(31,32)18-21/h3-6,20-21H,2,7-18H2,1H3,(H,25,29)/t21-/m1/s1.
What are the key properties of 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 476.64 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 31298051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).