2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C23H28N4O3 — CID 24790583

IUPAC2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17-8-9-20(30-17)16-26-14-11-19(12-15-26)27-21(10-13-24-27)25-23(28)22(29-2)18-6-4-3-5-7-18/h3-10,13,19,22H,11-12,14-16H2,1-2H3,(H,25,28)
InChIKeyUBSHTAAWRPQPJH-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.95
Rot. Bonds7

About 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24790583) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24790583
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17-8-9-20(30-17)16-26-14-11-19(12-15-26)27-21(10-13-24-27)25-23(28)22(29-2)18-6-4-3-5-7-18/h3-10,13,19,22H,11-12,14-16H2,1-2H3,(H,25,28)
InChIKeyUBSHTAAWRPQPJH-UHFFFAOYSA-N
XLogP3.95
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 24790583) is 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is UBSHTAAWRPQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-8-9-20(30-17)16-26-14-11-19(12-15-26)27-21(10-13-24-27)25-23(28)22(29-2)18-6-4-3-5-7-18/h3-10,13,19,22H,11-12,14-16H2,1-2H3,(H,25,28).
What are the key properties of 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 408.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24790583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).