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

C23H28N4O2S — CID 24793245

IUPAC2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)s2)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O2S/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)
InChIKeyYSPIPOZSDNSVHD-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.42
Rot. Bonds7

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

2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24793245) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24793245
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)s2)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O2S/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)
InChIKeyYSPIPOZSDNSVHD-UHFFFAOYSA-N
XLogP4.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.42
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-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 24793245) is 2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)s2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is YSPIPOZSDNSVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/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-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
2-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 424.57 g/mol, XLogP of 4.42, 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-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24793245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).