N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C21H26N4O4 — CID 24790092

IUPACN-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)C3CCOC3)CC2)c1
InChIInChI=1S/C21H26N4O4/c1-28-18-4-2-3-15(13-18)21(27)24-10-6-17(7-11-24)25-19(5-9-22-25)23-20(26)16-8-12-29-14-16/h2-5,9,13,16-17H,6-8,10-12,14H2,1H3,(H,23,26)
InChIKeyCBYQOAQCKGEQIM-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.34
Rot. Bonds5

About N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 24790092) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID24790092
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)C3CCOC3)CC2)c1
InChIInChI=1S/C21H26N4O4/c1-28-18-4-2-3-15(13-18)21(27)24-10-6-17(7-11-24)25-19(5-9-22-25)23-20(26)16-8-12-29-14-16/h2-5,9,13,16-17H,6-8,10-12,14H2,1H3,(H,23,26)
InChIKeyCBYQOAQCKGEQIM-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 N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 24790092) is N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is COc1cccc(C(=O)N2CCC(n3nccc3NC(=O)C3CCOC3)CC2)c1.
What is the InChIKey of N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is CBYQOAQCKGEQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-18-4-2-3-15(13-18)21(27)24-10-6-17(7-11-24)25-19(5-9-22-25)23-20(26)16-8-12-29-14-16/h2-5,9,13,16-17H,6-8,10-12,14H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide 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 N-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 24790092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).