N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H21N5O3S — CID 120929482

IUPACN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CSC(=O)N1Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C19H21N5O3S/c25-16-13-28-18(27)23(16)12-14-2-4-15(5-3-14)22-17(26)19(6-9-20-10-7-19)24-11-1-8-21-24/h1-5,8,11,20H,6-7,9-10,12-13H2,(H,22,26)
InChIKeyQWGSQTGRSAWZKZ-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.80
Rot. Bonds5

About N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120929482) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120929482
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CSC(=O)N1Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C19H21N5O3S/c25-16-13-28-18(27)23(16)12-14-2-4-15(5-3-14)22-17(26)19(6-9-20-10-7-19)24-11-1-8-21-24/h1-5,8,11,20H,6-7,9-10,12-13H2,(H,22,26)
InChIKeyQWGSQTGRSAWZKZ-UHFFFAOYSA-N
XLogP1.80
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934516
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933669
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923921
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120929482) is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C1CSC(=O)N1Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.
What is the InChIKey of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is QWGSQTGRSAWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c25-16-13-28-18(27)23(16)12-14-2-4-15(5-3-14)22-17(26)19(6-9-20-10-7-19)24-11-1-8-21-24/h1-5,8,11,20H,6-7,9-10,12-13H2,(H,22,26).
What are the key properties of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120929482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).