N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C18H27N3O4S — CID 120635208

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CCNCC1
InChIInChI=1S/C18H27N3O4S/c1-14-4-5-15(12-16(14)21-10-3-11-26(21,23)24)20-17(22)18(13-25-2)6-8-19-9-7-18/h4-5,12,19H,3,6-11,13H2,1-2H3,(H,20,22)
InChIKeyKETFBCODZBNHRV-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.49
Rot. Bonds5

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120635208) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120635208
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CCNCC1
InChIInChI=1S/C18H27N3O4S/c1-14-4-5-15(12-16(14)21-10-3-11-26(21,23)24)20-17(22)18(13-25-2)6-8-19-9-7-18/h4-5,12,19H,3,6-11,13H2,1-2H3,(H,20,22)
InChIKeyKETFBCODZBNHRV-UHFFFAOYSA-N
XLogP1.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-methylpentanamide
CID 119798780
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]pentanamide
CID 120563198
4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 120618122
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide
CID 110623141
4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085450
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120635208) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)CCNCC1.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is KETFBCODZBNHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14-4-5-15(12-16(14)21-10-3-11-26(21,23)24)20-17(22)18(13-25-2)6-8-19-9-7-18/h4-5,12,19H,3,6-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120635208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).