1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide

C19H23ClN4O3S — CID 91959172

IUPAC1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)COc2nsnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4O3S/c1-12(2)21-18(26)14-7-9-24(10-8-14)16(25)11-27-19-17(22-28-23-19)13-3-5-15(20)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,21,26)
InChIKeyCTWZEBATCAZVPU-UHFFFAOYSA-N
MW422.94 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 91959172) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID91959172
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)COc2nsnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4O3S/c1-12(2)21-18(26)14-7-9-24(10-8-14)16(25)11-27-19-17(22-28-23-19)13-3-5-15(20)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,21,26)
InChIKeyCTWZEBATCAZVPU-UHFFFAOYSA-N
XLogP3.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 91959172) is 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(=O)COc2nsnc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CTWZEBATCAZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-12(2)21-18(26)14-7-9-24(10-8-14)16(25)11-27-19-17(22-28-23-19)13-3-5-15(20)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,21,26).
What are the key properties of 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-chlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91959172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).