N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C20H28N4O — CID 131903388

IUPACN-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(CC(=O)Nc2cccc(-n3cccn3)c2)CC(C)(C)N1
InChIInChI=1S/C20H28N4O/c1-19(2)13-15(14-20(3,4)23-19)11-18(25)22-16-7-5-8-17(12-16)24-10-6-9-21-24/h5-10,12,15,23H,11,13-14H2,1-4H3,(H,22,25)
InChIKeyYIPVCPWXZSTPAD-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds4

About N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 131903388) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID131903388
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(CC(=O)Nc2cccc(-n3cccn3)c2)CC(C)(C)N1
InChIInChI=1S/C20H28N4O/c1-19(2)13-15(14-20(3,4)23-19)11-18(25)22-16-7-5-8-17(12-16)24-10-6-9-21-24/h5-10,12,15,23H,11,13-14H2,1-4H3,(H,22,25)
InChIKeyYIPVCPWXZSTPAD-UHFFFAOYSA-N
XLogP3.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 119708754
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
2-(1-cyclohexylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 92633708
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600172
3-[(2R)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600173
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 131903388) is N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(CC(=O)Nc2cccc(-n3cccn3)c2)CC(C)(C)N1.
What is the InChIKey of N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is YIPVCPWXZSTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-19(2)13-15(14-20(3,4)23-19)11-18(25)22-16-7-5-8-17(12-16)24-10-6-9-21-24/h5-10,12,15,23H,11,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 131903388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).