4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C21H26N4O4 — CID 24791316

IUPAC4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)C3CCOC3)CC2)cc1
InChIInChI=1S/C21H26N4O4/c1-28-18-4-2-15(3-5-18)20(26)23-19-6-10-22-25(19)17-7-11-24(12-8-17)21(27)16-9-13-29-14-16/h2-6,10,16-17H,7-9,11-14H2,1H3,(H,23,26)
InChIKeyQNWOYGNLPATUDL-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.34
Rot. Bonds5

About 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791316) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791316
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)C3CCOC3)CC2)cc1
InChIInChI=1S/C21H26N4O4/c1-28-18-4-2-15(3-5-18)20(26)23-19-6-10-22-25(19)17-7-11-24(12-8-17)21(27)16-9-13-29-14-16/h2-6,10,16-17H,7-9,11-14H2,1H3,(H,23,26)
InChIKeyQNWOYGNLPATUDL-UHFFFAOYSA-N
XLogP2.34
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[1-(3-furoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790587
6-[(3S,4S)-1-(4-methoxybenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886496
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
US20230348426, Example 648
CID 169319398
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-(4-ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24790597
4-methoxy-N-(1-{1-[(5-propyl-3-isoxazolyl)carbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24790706
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
N-[2-[1-(2-ethoxybenzyl)-4-piperidyl]pyrazol-3-yl]-3-phenyl-propionamide
CID 24791181

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791316) is 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)C3CCOC3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is QNWOYGNLPATUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-18-4-2-15(3-5-18)20(26)23-19-6-10-22-25(19)17-7-11-24(12-8-17)21(27)16-9-13-29-14-16/h2-6,10,16-17H,7-9,11-14H2,1H3,(H,23,26).
What are the key properties of 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).