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

C16H20N2O4S — CID 20996542

IUPAC2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C16H20N2O4S/c1-12-6-9-17(10-7-12)16(20)13-2-4-14(5-3-13)18-15(19)8-11-23(18,21)22/h2-5,12H,6-11H2,1H3
InChIKeyGHIPQBZNMXWCGX-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.63
Rot. Bonds2

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

2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 20996542) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID20996542
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C16H20N2O4S/c1-12-6-9-17(10-7-12)16(20)13-2-4-14(5-3-13)18-15(19)8-11-23(18,21)22/h2-5,12H,6-11H2,1H3
InChIKeyGHIPQBZNMXWCGX-UHFFFAOYSA-N
XLogP1.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 20898558
2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110617196
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
2-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110312388
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(1R,2S,6R,7R)-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23375629
(3aS,7aS)-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124526412
1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
CID 26824225
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781
2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695230
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 172887332

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 20996542) is 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CC1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is GHIPQBZNMXWCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-6-9-17(10-7-12)16(20)13-2-4-14(5-3-13)18-15(19)8-11-23(18,21)22/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 336.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 20996542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).