3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

C23H26N4O — CID 75528152

IUPAC3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1C
InChIInChI=1S/C23H26N4O/c1-16-8-9-19(14-17(16)2)23(28)24-20-10-12-27(13-11-20)22-15-21(25-26-22)18-6-4-3-5-7-18/h3-9,14-15,20H,10-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyZFHIEHKLLIHNBP-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.09
Rot. Bonds4

About 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528152) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528152
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1C
InChIInChI=1S/C23H26N4O/c1-16-8-9-19(14-17(16)2)23(28)24-20-10-12-27(13-11-20)22-15-21(25-26-22)18-6-4-3-5-7-18/h3-9,14-15,20H,10-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyZFHIEHKLLIHNBP-UHFFFAOYSA-N
XLogP4.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528152) is 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is ZFHIEHKLLIHNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-8-9-19(14-17(16)2)23(28)24-20-10-12-27(13-11-20)22-15-21(25-26-22)18-6-4-3-5-7-18/h3-9,14-15,20H,10-13H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).