N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide

C24H28N4O3 — CID 91904760

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(-c2cc(N3CCC(NC(=O)COc4cccc(C)c4)CC3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-4-3-5-21(14-17)31-16-24(29)25-19-10-12-28(13-11-19)23-15-22(26-27-23)18-6-8-20(30-2)9-7-18/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYLYCMNSCEOONQM-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.56
Rot. Bonds7

About N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 91904760) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
PubChem CID91904760
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(-c2cc(N3CCC(NC(=O)COc4cccc(C)c4)CC3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-4-3-5-21(14-17)31-16-24(29)25-19-10-12-28(13-11-19)23-15-22(26-27-23)18-6-8-20(30-2)9-7-18/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYLYCMNSCEOONQM-UHFFFAOYSA-N
XLogP3.56
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740798
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528321
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
5-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-2-carboxamide
CID 75528314
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 75528349
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170
2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528428

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide (CID 91904760) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide is COc1ccc(-c2cc(N3CCC(NC(=O)COc4cccc(C)c4)CC3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is YLYCMNSCEOONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-4-3-5-21(14-17)31-16-24(29)25-19-10-12-28(13-11-19)23-15-22(26-27-23)18-6-8-20(30-2)9-7-18/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 91904760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).