N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C24H28N4O2 — CID 71839667

IUPACN-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c(C)c1
InChIInChI=1S/C24H28N4O2/c1-16-5-4-6-19(13-16)23-15-22(26-27-23)18-9-11-28(12-10-18)24(29)25-21-8-7-20(30-3)14-17(21)2/h4-8,13-15,18H,9-12H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyWHXXOJOIMKJDLP-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.11
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839667) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839667
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c(C)c1
InChIInChI=1S/C24H28N4O2/c1-16-5-4-6-19(13-16)23-15-22(26-27-23)18-9-11-28(12-10-18)24(29)25-21-8-7-20(30-3)14-17(21)2/h4-8,13-15,18H,9-12H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyWHXXOJOIMKJDLP-UHFFFAOYSA-N
XLogP5.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 71839654
N-(2,4-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839633
N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839622
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839636
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
cyclopropyl-[3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 110223798
(1R,5S)-8-hydroxy-N-(4-methoxy-2-methylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118789979
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 97124854
N-(4-methoxy-2-methylphenyl)-4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3815274
(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
CID 111431674
(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 118788669
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033124

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839667) is N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3cc(-c4cccc(C)c4)n[nH]3)CC2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is WHXXOJOIMKJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-5-4-6-19(13-16)23-15-22(26-27-23)18-9-11-28(12-10-18)24(29)25-21-8-7-20(30-3)14-17(21)2/h4-8,13-15,18H,9-12H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).