3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide

C19H25N5O2S — CID 55978635

IUPAC3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(C)(C)c1nnc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)s1
InChIInChI=1S/C19H25N5O2S/c1-19(2,3)16-22-23-17(27-16)21-15(25)13-8-7-11-24(12-13)18(26)20-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,20,26)(H,21,23,25)
InChIKeyUZRZKONXSIRJLZ-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.72
Rot. Bonds3

About 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55978635) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55978635
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(C)(C)c1nnc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)s1
InChIInChI=1S/C19H25N5O2S/c1-19(2,3)16-22-23-17(27-16)21-15(25)13-8-7-11-24(12-13)18(26)20-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,20,26)(H,21,23,25)
InChIKeyUZRZKONXSIRJLZ-UHFFFAOYSA-N
XLogP3.72
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 56523677
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 132846571
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
3-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 17488727
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55978635) is 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide is CC(C)(C)c1nnc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)s1.
What is the InChIKey of 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is UZRZKONXSIRJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-19(2,3)16-22-23-17(27-16)21-15(25)13-8-7-11-24(12-13)18(26)20-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,20,26)(H,21,23,25).
What are the key properties of 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55978635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).