N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C17H28N4O2S — CID 47988948

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)s1
InChIInChI=1S/C17H28N4O2S/c1-5-6-9-13-19-20-16(24-13)18-14(22)12-8-7-10-21(11-12)15(23)17(2,3)4/h12H,5-11H2,1-4H3,(H,18,20,22)
InChIKeySPGCHFLOJUDKPI-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.10
Rot. Bonds5

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 47988948) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID47988948
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)s1
InChIInChI=1S/C17H28N4O2S/c1-5-6-9-13-19-20-16(24-13)18-14(22)12-8-7-10-21(11-12)15(23)17(2,3)4/h12H,5-11H2,1-4H3,(H,18,20,22)
InChIKeySPGCHFLOJUDKPI-UHFFFAOYSA-N
XLogP3.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 94857759
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55906892
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
(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
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 47988948) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CCCCc1nnc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is SPGCHFLOJUDKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-5-6-9-13-19-20-16(24-13)18-14(22)12-8-7-10-21(11-12)15(23)17(2,3)4/h12H,5-11H2,1-4H3,(H,18,20,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 47988948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).