2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

C16H20N4O2S — CID 91835468

IUPAC2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)N1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C16H20N4O2S/c1-11(15(22)18-16-19-17-10-23-16)20-7-5-12(6-8-20)13-3-2-4-14(21)9-13/h2-4,9-12,21H,5-8H2,1H3,(H,18,19,22)
InChIKeyFEUNGEMAWNGYRX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 91835468) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID91835468
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)N1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C16H20N4O2S/c1-11(15(22)18-16-19-17-10-23-16)20-7-5-12(6-8-20)13-3-2-4-14(21)9-13/h2-4,9-12,21H,5-8H2,1H3,(H,18,19,22)
InChIKeyFEUNGEMAWNGYRX-UHFFFAOYSA-N
XLogP2.45
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 91835468) is 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C(=O)Nc1nncs1)N1CCC(c2cccc(O)c2)CC1.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is FEUNGEMAWNGYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(15(22)18-16-19-17-10-23-16)20-7-5-12(6-8-20)13-3-2-4-14(21)9-13/h2-4,9-12,21H,5-8H2,1H3,(H,18,19,22).
What are the key properties of 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 332.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 91835468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).