2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide

C23H26N4O2 — CID 138585121

IUPAC2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCOc1ccccc1C(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(C)CC1
InChIInChI=1S/C23H26N4O2/c1-25-15-12-19(13-16-25)27(23(28)20-10-6-7-11-21(20)29-2)22-14-17-26(24-22)18-8-4-3-5-9-18/h3-11,14,17,19H,12-13,15-16H2,1-2H3
InChIKeySSZZAXXOOPSVGS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.62
Rot. Bonds5

About 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide

2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 138585121) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID138585121
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCOc1ccccc1C(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(C)CC1
InChIInChI=1S/C23H26N4O2/c1-25-15-12-19(13-16-25)27(23(28)20-10-6-7-11-21(20)29-2)22-14-17-26(24-22)18-8-4-3-5-9-18/h3-11,14,17,19H,12-13,15-16H2,1-2H3
InChIKeySSZZAXXOOPSVGS-UHFFFAOYSA-N
XLogP3.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide (CID 138585121) is 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide is COc1ccccc1C(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is SSZZAXXOOPSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-25-15-12-19(13-16-25)27(23(28)20-10-6-7-11-21(20)29-2)22-14-17-26(24-22)18-8-4-3-5-9-18/h3-11,14,17,19H,12-13,15-16H2,1-2H3.
What are the key properties of 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 138585121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).