N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C19H24N4O4 — CID 56758980

IUPACN-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)CO)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O4/c1-27-18(14-5-3-2-4-6-14)19(26)21-16-7-10-20-23(16)15-8-11-22(12-9-15)17(25)13-24/h2-7,10,15,18,24H,8-9,11-13H2,1H3,(H,21,26)
InChIKeyPILGKPOXZVGFKQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.37
Rot. Bonds6

About N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 56758980) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID56758980
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)CO)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O4/c1-27-18(14-5-3-2-4-6-14)19(26)21-16-7-10-20-23(16)15-8-11-22(12-9-15)17(25)13-24/h2-7,10,15,18,24H,8-9,11-13H2,1H3,(H,21,26)
InChIKeyPILGKPOXZVGFKQ-UHFFFAOYSA-N
XLogP1.37
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 56758980) is N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(C(=O)CO)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is PILGKPOXZVGFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-27-18(14-5-3-2-4-6-14)19(26)21-16-7-10-20-23(16)15-8-11-22(12-9-15)17(25)13-24/h2-7,10,15,18,24H,8-9,11-13H2,1H3,(H,21,26).
What are the key properties of N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 372.43 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 56758980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).