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

C21H26N4O4 — CID 24791333

IUPAC2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C21H26N4O4/c1-28-18-5-3-2-4-17(18)20(26)23-19-6-10-22-25(19)16-7-11-24(12-8-16)21(27)15-9-13-29-14-15/h2-6,10,15-16H,7-9,11-14H2,1H3,(H,23,26)
InChIKeyBEHOSSCMUZVGJG-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.34
Rot. Bonds5

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

2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791333) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791333
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C21H26N4O4/c1-28-18-5-3-2-4-17(18)20(26)23-19-6-10-22-25(19)16-7-11-24(12-8-16)21(27)15-9-13-29-14-15/h2-6,10,15-16H,7-9,11-14H2,1H3,(H,23,26)
InChIKeyBEHOSSCMUZVGJG-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791333) is 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is BEHOSSCMUZVGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-18-5-3-2-4-17(18)20(26)23-19-6-10-22-25(19)16-7-11-24(12-8-16)21(27)15-9-13-29-14-15/h2-6,10,15-16H,7-9,11-14H2,1H3,(H,23,26).
What are the key properties of 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-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 2-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).