1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C20H22N6O2S — CID 47049899

IUPAC1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)C1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22N6O2S/c27-18(9-8-15-11-22-26(12-15)17-6-2-1-3-7-17)25-10-4-5-16(13-25)19(28)23-20-24-21-14-29-20/h1-3,6-7,11-12,14,16H,4-5,8-10,13H2,(H,23,24,28)
InChIKeyKGBUAGCZGRZKIB-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.53
Rot. Bonds6

About 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 47049899) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID47049899
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)C1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22N6O2S/c27-18(9-8-15-11-22-26(12-15)17-6-2-1-3-7-17)25-10-4-5-16(13-25)19(28)23-20-24-21-14-29-20/h1-3,6-7,11-12,14,16H,4-5,8-10,13H2,(H,23,24,28)
InChIKeyKGBUAGCZGRZKIB-UHFFFAOYSA-N
XLogP2.53
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47050306
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 9489157
1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119635459
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006
1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523272
(3S)-1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962353
(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 95636192
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 60556816

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 47049899) is 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nncs1)C1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KGBUAGCZGRZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c27-18(9-8-15-11-22-26(12-15)17-6-2-1-3-7-17)25-10-4-5-16(13-25)19(28)23-20-24-21-14-29-20/h1-3,6-7,11-12,14,16H,4-5,8-10,13H2,(H,23,24,28).
What are the key properties of 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47049899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).