2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C26H32N4O2 — CID 24791449

IUPAC2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C26H32N4O2/c1-18-15-20(3)21(16-19(18)2)17-29-13-10-22(11-14-29)30-25(9-12-27-30)28-26(31)23-7-5-6-8-24(23)32-4/h5-9,12,15-16,22H,10-11,13-14,17H2,1-4H3,(H,28,31)
InChIKeyNADOALFXOAAULK-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.91
Rot. Bonds6

About 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791449) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791449
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C26H32N4O2/c1-18-15-20(3)21(16-19(18)2)17-29-13-10-22(11-14-29)30-25(9-12-27-30)28-26(31)23-7-5-6-8-24(23)32-4/h5-9,12,15-16,22H,10-11,13-14,17H2,1-4H3,(H,28,31)
InChIKeyNADOALFXOAAULK-UHFFFAOYSA-N
XLogP4.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791449) is 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc(C)c(C)cc2C)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is NADOALFXOAAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-15-20(3)21(16-19(18)2)17-29-13-10-22(11-14-29)30-25(9-12-27-30)28-26(31)23-7-5-6-8-24(23)32-4/h5-9,12,15-16,22H,10-11,13-14,17H2,1-4H3,(H,28,31).
What are the key properties of 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 432.57 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).