1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

C21H24N6O2S — CID 55911251

IUPAC1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C21H24N6O2S/c28-19(25-20-22-11-14-30-20)17-3-1-12-26(15-17)21(29)23-10-8-16-4-6-18(7-5-16)27-13-2-9-24-27/h2,4-7,9,11,13-14,17H,1,3,8,10,12,15H2,(H,23,29)(H,22,25,28)
InChIKeyNRPKOXPOHKKLRD-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.93
Rot. Bonds6

About 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 55911251) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID55911251
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C21H24N6O2S/c28-19(25-20-22-11-14-30-20)17-3-1-12-26(15-17)21(29)23-10-8-16-4-6-18(7-5-16)27-13-2-9-24-27/h2,4-7,9,11,13-14,17H,1,3,8,10,12,15H2,(H,23,29)(H,22,25,28)
InChIKeyNRPKOXPOHKKLRD-UHFFFAOYSA-N
XLogP2.93
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 110895552
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55922083
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94657727
N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 16608941
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 51961786
1-(4-fluorophenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 46521389
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 55911251) is 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is NRPKOXPOHKKLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c28-19(25-20-22-11-14-30-20)17-3-1-12-26(15-17)21(29)23-10-8-16-4-6-18(7-5-16)27-13-2-9-24-27/h2,4-7,9,11,13-14,17H,1,3,8,10,12,15H2,(H,23,29)(H,22,25,28).
What are the key properties of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55911251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).