N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C21H28N4O3 — CID 24817189

IUPACN-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C21H28N4O3/c1-21(2,3)20(27)24-13-10-15(11-14-24)25-18(9-12-22-25)23-19(26)16-7-5-6-8-17(16)28-4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,23,26)
InChIKeyLIUMOMGTHZBMBN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.35
Rot. Bonds4

About N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24817189) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24817189
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C21H28N4O3/c1-21(2,3)20(27)24-13-10-15(11-14-24)25-18(9-12-22-25)23-19(26)16-7-5-6-8-17(16)28-4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,23,26)
InChIKeyLIUMOMGTHZBMBN-UHFFFAOYSA-N
XLogP3.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-[1-(1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24791085
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24791091
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 24791138

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24817189) is N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is LIUMOMGTHZBMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-21(2,3)20(27)24-13-10-15(11-14-24)25-18(9-12-22-25)23-19(26)16-7-5-6-8-17(16)28-4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24817189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).