N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide

C22H23N3O3S — CID 121157128

IUPACN-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C22H23N3O3S/c26-19-15-29-22(28)25(19)18-11-13-24(14-12-18)21(27)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2,(H,23,27)
InChIKeyZLGMTOCRMJKRNM-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.65
Rot. Bonds4

About N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide

N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide (PubChem CID 121157128) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide
PubChem CID121157128
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)CSC2=O)CC1
InChIInChI=1S/C22H23N3O3S/c26-19-15-29-22(28)25(19)18-11-13-24(14-12-18)21(27)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2,(H,23,27)
InChIKeyZLGMTOCRMJKRNM-UHFFFAOYSA-N
XLogP3.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160469
N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165108
3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156873
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159552
3-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156884
3-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157074
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991790
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide
CID 10204752
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide (CID 121157128) is N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)CSC2=O)CC1.
What is the InChIKey of N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide?
The InChIKey is ZLGMTOCRMJKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-19-15-29-22(28)25(19)18-11-13-24(14-12-18)21(27)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H2,(H,23,27).
What are the key properties of N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide?
N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121157128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).