N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C19H22F2N4O3 — CID 166260394

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC(c3cnn(C)c3)CC2)c(OC(F)F)c1
InChIInChI=1S/C19H22F2N4O3/c1-12-3-4-15(16(9-12)28-19(20)21)23-17(26)18(27)25-7-5-13(6-8-25)14-10-22-24(2)11-14/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,23,26)
InChIKeyJDBRLMXHESVYKE-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 166260394) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID166260394
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC(c3cnn(C)c3)CC2)c(OC(F)F)c1
InChIInChI=1S/C19H22F2N4O3/c1-12-3-4-15(16(9-12)28-19(20)21)23-17(26)18(27)25-7-5-13(6-8-25)14-10-22-24(2)11-14/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,23,26)
InChIKeyJDBRLMXHESVYKE-UHFFFAOYSA-N
XLogP2.67
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166211702
N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 136526239
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide
CID 167756837
N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167962588
(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124618863
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552093
(3S)-N-(3-methoxy-2,4-dimethylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606829
N-(2,4-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901731
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522526
N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 111117390
N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 136521848
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124615460

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 166260394) is N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCC(c3cnn(C)c3)CC2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is JDBRLMXHESVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-12-3-4-15(16(9-12)28-19(20)21)23-17(26)18(27)25-7-5-13(6-8-25)14-10-22-24(2)11-14/h3-4,9-11,13,19H,5-8H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 392.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166260394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).