3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide

C23H32N4O4 — CID 92637470

IUPAC3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)C(C)(C)OC)CC2)cc1
InChIInChI=1S/C23H32N4O4/c1-23(2,31-5)22(29)27-12-10-16(11-13-27)14-20-19(15-26(3)25-20)21(28)24-17-6-8-18(30-4)9-7-17/h6-9,15-16H,10-14H2,1-5H3,(H,24,28)
InChIKeyYVBFPOAZKYGQMG-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.89
Rot. Bonds7

About 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide

3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 92637470) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID92637470
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)C(C)(C)OC)CC2)cc1
InChIInChI=1S/C23H32N4O4/c1-23(2,31-5)22(29)27-12-10-16(11-13-27)14-20-19(15-26(3)25-20)21(28)24-17-6-8-18(30-4)9-7-17/h6-9,15-16H,10-14H2,1-5H3,(H,24,28)
InChIKeyYVBFPOAZKYGQMG-UHFFFAOYSA-N
XLogP2.89
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92638029
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636806
N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
N-(4-fluorophenyl)-1-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637540
4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
3-[[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92637664
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92638162
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide (CID 92637470) is 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)C(C)(C)OC)CC2)cc1.
What is the InChIKey of 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is YVBFPOAZKYGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-23(2,31-5)22(29)27-12-10-16(11-13-27)14-20-19(15-26(3)25-20)21(28)24-17-6-8-18(30-4)9-7-17/h6-9,15-16H,10-14H2,1-5H3,(H,24,28).
What are the key properties of 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 92637470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).