N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C23H27N3O5S — CID 55633115

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H27N3O5S/c27-22(17-31-21-5-2-1-3-6-21)25-14-11-18(12-15-25)23(28)24-19-7-9-20(10-8-19)26-13-4-16-32(26,29)30/h1-3,5-10,18H,4,11-17H2,(H,24,28)
InChIKeyDLVYVVUGKPYECC-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.48
Rot. Bonds6

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55633115) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55633115
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H27N3O5S/c27-22(17-31-21-5-2-1-3-6-21)25-14-11-18(12-15-25)23(28)24-19-7-9-20(10-8-19)26-13-4-16-32(26,29)30/h1-3,5-10,18H,4,11-17H2,(H,24,28)
InChIKeyDLVYVVUGKPYECC-UHFFFAOYSA-N
XLogP2.48
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46411434
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55871872
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55633115) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is DLVYVVUGKPYECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c27-22(17-31-21-5-2-1-3-6-21)25-14-11-18(12-15-25)23(28)24-19-7-9-20(10-8-19)26-13-4-16-32(26,29)30/h1-3,5-10,18H,4,11-17H2,(H,24,28).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55633115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).