1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C20H34N4O2S — CID 55906892

IUPAC1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)C2CCCN(C(=O)CCC)C2)s1
InChIInChI=1S/C20H34N4O2S/c1-3-5-6-7-8-9-13-17-22-23-20(27-17)21-19(26)16-12-10-14-24(15-16)18(25)11-4-2/h16H,3-15H2,1-2H3,(H,21,23,26)
InChIKeyCTBGWXWJDXEYQL-UHFFFAOYSA-N
MW394.59 g/mol
LogP4.42
Rot. Bonds11

About 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55906892) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID55906892
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)C2CCCN(C(=O)CCC)C2)s1
InChIInChI=1S/C20H34N4O2S/c1-3-5-6-7-8-9-13-17-22-23-20(27-17)21-19(26)16-12-10-14-24(15-16)18(25)11-4-2/h16H,3-15H2,1-2H3,(H,21,23,26)
InChIKeyCTBGWXWJDXEYQL-UHFFFAOYSA-N
XLogP4.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
CID 119039024
(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027971
(3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37027970
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
1-(4-methylbenzoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 134704833
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 55906892) is 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CCCCCCCCc1nnc(NC(=O)C2CCCN(C(=O)CCC)C2)s1.
What is the InChIKey of 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is CTBGWXWJDXEYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-3-5-6-7-8-9-13-17-22-23-20(27-17)21-19(26)16-12-10-14-24(15-16)18(25)11-4-2/h16H,3-15H2,1-2H3,(H,21,23,26).
What are the key properties of 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 394.59 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55906892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).