N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide

C22H30N4O2S — CID 3993757

About N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide

N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 3993757) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
• PubChem CID: 3993757
• Molecular Formula: C22H30N4O2S
• Molecular Weight: 414.58 g/mol
• Exact Mass: 414.21
• IUPAC Name: N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
• SMILES: COc1cccc(Cc2nsc(N3CCCC(C(=O)NC4CCCCC4)C3)n2)c1
• InChI: InChI=1S/C22H30N4O2S/c1-28-19-11-5-7-16(13-19)14-20-24-22(29-25-20)26-12-6-8-17(15-26)21(27)23-18-9-3-2-4-10-18/h5,7,11,13,17-18H,2-4,6,8-10,12,14-15H2,1H3,(H,23,27)
• InChIKey: WRPLJQDPQMWODY-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.58
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?

The IUPAC name of N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide (CID 3993757) is N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?

The canonical SMILES for N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide is COc1cccc(Cc2nsc(N3CCCC(C(=O)NC4CCCCC4)C3)n2)c1.

What is the InChIKey of N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?

The InChIKey is WRPLJQDPQMWODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-28-19-11-5-7-16(13-19)14-20-24-22(29-25-20)26-12-6-8-17(15-26)21(27)23-18-9-3-2-4-10-18/h5,7,11,13,17-18H,2-4,6,8-10,12,14-15H2,1H3,(H,23,27).

What are the key properties of N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?

N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 3993757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).