3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C23H34N4O2 — CID 25448651

IUPAC3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2c(C)cc(C)cc2-n2cccn2)CC1
InChIInChI=1S/C23H34N4O2/c1-18-15-19(2)21(22(16-18)27-11-4-9-25-27)17-26-12-7-20(8-13-26)5-6-23(28)24-10-14-29-3/h4,9,11,15-16,20H,5-8,10,12-14,17H2,1-3H3,(H,24,28)
InChIKeyWKYFWJKTDKOCRK-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.24
Rot. Bonds9

About 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 25448651) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID25448651
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2c(C)cc(C)cc2-n2cccn2)CC1
InChIInChI=1S/C23H34N4O2/c1-18-15-19(2)21(22(16-18)27-11-4-9-25-27)17-26-12-7-20(8-13-26)5-6-23(28)24-10-14-29-3/h4,9,11,15-16,20H,5-8,10,12-14,17H2,1-3H3,(H,24,28)
InChIKeyWKYFWJKTDKOCRK-UHFFFAOYSA-N
XLogP3.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997
[4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 77090594
(1S,5R)-3-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72907377
N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
CID 26394300
(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95867256
1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one
CID 56861158
N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
CID 45216292
N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 78889005
3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 42513054
2-(dimethylamino)-8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 74246882

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 25448651) is 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(Cc2c(C)cc(C)cc2-n2cccn2)CC1.
What is the InChIKey of 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is WKYFWJKTDKOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18-15-19(2)21(22(16-18)27-11-4-9-25-27)17-26-12-7-20(8-13-26)5-6-23(28)24-10-14-29-3/h4,9,11,15-16,20H,5-8,10,12-14,17H2,1-3H3,(H,24,28).
What are the key properties of 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 398.55 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 25448651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).