2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C18H24N2O5S — CID 110617196

IUPAC2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCCOCC1CCCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1
InChIInChI=1S/C18H24N2O5S/c1-2-25-13-14-4-3-10-19(12-14)18(22)15-5-7-16(8-6-15)20-17(21)9-11-26(20,23)24/h5-8,14H,2-4,9-13H2,1H3
InChIKeyQIZWHBAPTNHFHL-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.64
Rot. Bonds5

About 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 110617196) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID110617196
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCCOCC1CCCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1
InChIInChI=1S/C18H24N2O5S/c1-2-25-13-14-4-3-10-19(12-14)18(22)15-5-7-16(8-6-15)20-17(21)9-11-26(20,23)24/h5-8,14H,2-4,9-13H2,1H3
InChIKeyQIZWHBAPTNHFHL-UHFFFAOYSA-N
XLogP1.64
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 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-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 71979424
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
6-[3-(ethoxymethyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 119129886
5-[3-(ethoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110610314
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 110617196) is 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CCOCC1CCCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)C1.
What is the InChIKey of 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is QIZWHBAPTNHFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-2-25-13-14-4-3-10-19(12-14)18(22)15-5-7-16(8-6-15)20-17(21)9-11-26(20,23)24/h5-8,14H,2-4,9-13H2,1H3.
What are the key properties of 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 380.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 110617196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).