3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide

C24H34N4O6 — CID 177250736

IUPAC3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide
SMILESCOCCOCCOCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(O)c2)n[nH]1
InChIInChI=1S/C24H34N4O6/c1-17-6-7-18(15-21(17)29)24(31)25-22-16-19(26-27-22)20-5-3-4-9-28(20)23(30)8-10-33-13-14-34-12-11-32-2/h6-7,15-16,20,29H,3-5,8-14H2,1-2H3,(H2,25,26,27,31)/t20-/m1/s1
InChIKeyNDOZMDFDQHWCFA-HXUWFJFHSA-N
MW474.56 g/mol
LogP2.80
Rot. Bonds12

About 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide

3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide (PubChem CID 177250736) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide
PubChem CID177250736
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Name3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide
SMILESCOCCOCCOCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(O)c2)n[nH]1
InChIInChI=1S/C24H34N4O6/c1-17-6-7-18(15-21(17)29)24(31)25-22-16-19(26-27-22)20-5-3-4-9-28(20)23(30)8-10-33-13-14-34-12-11-32-2/h6-7,15-16,20,29H,3-5,8-14H2,1-2H3,(H2,25,26,27,31)/t20-/m1/s1
InChIKeyNDOZMDFDQHWCFA-HXUWFJFHSA-N
XLogP2.80
TPSA126.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide (CID 177250736) is 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide is COCCOCCOCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(C)c(O)c2)n[nH]1.
What is the InChIKey of 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide?
The InChIKey is NDOZMDFDQHWCFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-17-6-7-18(15-21(17)29)24(31)25-22-16-19(26-27-22)20-5-3-4-9-28(20)23(30)8-10-33-13-14-34-12-11-32-2/h6-7,15-16,20,29H,3-5,8-14H2,1-2H3,(H2,25,26,27,31)/t20-/m1/s1.
What are the key properties of 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide?
3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide has a molecular weight of 474.56 g/mol, XLogP of 2.80, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[5-[(2R)-1-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-4-methylbenzamide is sourced from PubChem (CID 177250736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).