1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C18H22N4O2S — CID 60523272

IUPAC1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C18H22N4O2S/c23-16(8-4-7-14-5-2-1-3-6-14)22-11-9-15(10-12-22)17(24)20-18-21-19-13-25-18/h1-3,5-6,13,15H,4,7-12H2,(H,20,21,24)
InChIKeyOGFQOORZVBFKAT-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 60523272) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID60523272
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C18H22N4O2S/c23-16(8-4-7-14-5-2-1-3-6-14)22-11-9-15(10-12-22)17(24)20-18-21-19-13-25-18/h1-3,5-6,13,15H,4,7-12H2,(H,20,21,24)
InChIKeyOGFQOORZVBFKAT-UHFFFAOYSA-N
XLogP2.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 56552889
1-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957727
N-[5-(4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525604
1-(3,3-difluorobutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 154739258
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 42041834
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
1-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55922083
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55631067

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 60523272) is 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(C(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is OGFQOORZVBFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-16(8-4-7-14-5-2-1-3-6-14)22-11-9-15(10-12-22)17(24)20-18-21-19-13-25-18/h1-3,5-6,13,15H,4,7-12H2,(H,20,21,24).
What are the key properties of 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 60523272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).