2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide

C26H32N4O2 — CID 45195177

IUPAC2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H32N4O2/c1-32-25(22-12-6-3-7-13-22)26(31)28-24-14-17-27-30(24)23-15-19-29(20-16-23)18-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-14,17,23,25H,8,11,15-16,18-20H2,1H3,(H,28,31)
InChIKeyNTMJGOXSKULUQC-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.48
Rot. Bonds9

About 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide

2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 45195177) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID45195177
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H32N4O2/c1-32-25(22-12-6-3-7-13-22)26(31)28-24-14-17-27-30(24)23-15-19-29(20-16-23)18-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-14,17,23,25H,8,11,15-16,18-20H2,1H3,(H,28,31)
InChIKeyNTMJGOXSKULUQC-UHFFFAOYSA-N
XLogP4.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 45195177) is 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide is COC(C(=O)Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is NTMJGOXSKULUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-32-25(22-12-6-3-7-13-22)26(31)28-24-14-17-27-30(24)23-15-19-29(20-16-23)18-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-14,17,23,25H,8,11,15-16,18-20H2,1H3,(H,28,31).
What are the key properties of 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 45195177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).