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

C23H26N4O2 — CID 75528170

IUPAC4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-16-14-19(29-2)8-9-20(16)23(28)24-18-10-12-27(13-11-18)22-15-21(25-26-22)17-6-4-3-5-7-17/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyDUUKACUTNLKILY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds5

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

4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528170) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528170
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-16-14-19(29-2)8-9-20(16)23(28)24-18-10-12-27(13-11-18)22-15-21(25-26-22)17-6-4-3-5-7-17/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyDUUKACUTNLKILY-UHFFFAOYSA-N
XLogP3.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528143
4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
CID 99741786
2,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528162
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528488
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 75528349
3-chloro-4-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528340
5-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-2-carboxamide
CID 75528314

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528170) is 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is DUUKACUTNLKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-14-19(29-2)8-9-20(16)23(28)24-18-10-12-27(13-11-18)22-15-21(25-26-22)17-6-4-3-5-7-17/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).