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

C20H23N7O2S — CID 55922083

IUPAC1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C20H23N7O2S/c28-18(24-19-25-22-14-30-19)16-7-12-26(13-8-16)20(29)21-10-6-15-2-4-17(5-3-15)27-11-1-9-23-27/h1-5,9,11,14,16H,6-8,10,12-13H2,(H,21,29)(H,24,25,28)
InChIKeyKMGBBAIWUFSFMA-UHFFFAOYSA-N
MW425.52 g/mol
LogP2.33
Rot. Bonds6

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

1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 55922083) has the molecular formula C20H23N7O2S and a molecular weight of 425.52 g/mol. Its IUPAC name is 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID55922083
Molecular FormulaC20H23N7O2S
Molecular Weight425.52 g/mol
Exact Mass425.16
IUPAC Name1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C20H23N7O2S/c28-18(24-19-25-22-14-30-19)16-7-12-26(13-8-16)20(29)21-10-6-15-2-4-17(5-3-15)27-11-1-9-23-27/h1-5,9,11,14,16H,6-8,10,12-13H2,(H,21,29)(H,24,25,28)
InChIKeyKMGBBAIWUFSFMA-UHFFFAOYSA-N
XLogP2.33
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[2-(4-tert-butylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 51122160
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 55911251
3-hydroxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 110895552
1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523272
N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 16608941
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
(1S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 30101763
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 41412986
1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55919738
9-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 43045641
1-N-[2-(6-methyl-3-pyridinyl)ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
CID 75463453
trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (CID 55922083) is 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is O=C(Nc1nncs1)C1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is KMGBBAIWUFSFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S/c28-18(24-19-25-22-14-30-19)16-7-12-26(13-8-16)20(29)21-10-6-15-2-4-17(5-3-15)27-11-1-9-23-27/h1-5,9,11,14,16H,6-8,10,12-13H2,(H,21,29)(H,24,25,28).
What are the key properties of 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 425.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55922083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).