1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

C16H18N4O2S — CID 2960085

IUPAC1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H18N4O2S/c1-11(21)20-9-7-13(8-10-20)15(22)18-16-17-14(19-23-16)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,17,18,19,22)
InChIKeyJAKIQZOWOUTGNC-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.40
Rot. Bonds3

About 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide (PubChem CID 2960085) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
PubChem CID2960085
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H18N4O2S/c1-11(21)20-9-7-13(8-10-20)15(22)18-16-17-14(19-23-16)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,17,18,19,22)
InChIKeyJAKIQZOWOUTGNC-UHFFFAOYSA-N
XLogP2.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide (CID 2960085) is 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is JAKIQZOWOUTGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(21)20-9-7-13(8-10-20)15(22)18-16-17-14(19-23-16)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,17,18,19,22).
What are the key properties of 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2960085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).