N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide

C18H24N4O3S — CID 655293

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCC(O)(c3ccccc3OC)CC2)s1
InChIInChI=1S/C18H24N4O3S/c1-3-16-20-21-17(26-16)19-15(23)12-22-10-8-18(24,9-11-22)13-6-4-5-7-14(13)25-2/h4-7,24H,3,8-12H2,1-2H3,(H,19,21,23)
InChIKeyCQPZPAFZQZQNTI-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.03
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide (PubChem CID 655293) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide
PubChem CID655293
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCC(O)(c3ccccc3OC)CC2)s1
InChIInChI=1S/C18H24N4O3S/c1-3-16-20-21-17(26-16)19-15(23)12-22-10-8-18(24,9-11-22)13-6-4-5-7-14(13)25-2/h4-7,24H,3,8-12H2,1-2H3,(H,19,21,23)
InChIKeyCQPZPAFZQZQNTI-UHFFFAOYSA-N
XLogP2.03
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide (CID 655293) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide is CCc1nnc(NC(=O)CN2CCC(O)(c3ccccc3OC)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide?
The InChIKey is CQPZPAFZQZQNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-16-20-21-17(26-16)19-15(23)12-22-10-8-18(24,9-11-22)13-6-4-5-7-14(13)25-2/h4-7,24H,3,8-12H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 655293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).