1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide

C19H28N6O5 — CID 118535825

IUPAC1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CCN(N3CCOCC3=O)CC2)n(C2CCOCC2)n1
InChIInChI=1S/C19H28N6O5/c20-18(27)15-11-16(25(22-15)14-3-8-29-9-4-14)19(28)21-13-1-5-23(6-2-13)24-7-10-30-12-17(24)26/h11,13-14H,1-10,12H2,(H2,20,27)(H,21,28)
InChIKeyPRJSLQLDXNUKQB-UHFFFAOYSA-N
MW420.47 g/mol
LogP-0.70
Rot. Bonds5

About 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide

1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide (PubChem CID 118535825) has the molecular formula C19H28N6O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide
PubChem CID118535825
Molecular FormulaC19H28N6O5
Molecular Weight420.47 g/mol
Exact Mass420.21
IUPAC Name1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2CCN(N3CCOCC3=O)CC2)n(C2CCOCC2)n1
InChIInChI=1S/C19H28N6O5/c20-18(27)15-11-16(25(22-15)14-3-8-29-9-4-14)19(28)21-13-1-5-23(6-2-13)24-7-10-30-12-17(24)26/h11,13-14H,1-10,12H2,(H2,20,27)(H,21,28)
InChIKeyPRJSLQLDXNUKQB-UHFFFAOYSA-N
XLogP-0.70
TPSA132.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide (CID 118535825) is 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide is NC(=O)c1cc(C(=O)NC2CCN(N3CCOCC3=O)CC2)n(C2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide?
The InChIKey is PRJSLQLDXNUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O5/c20-18(27)15-11-16(25(22-15)14-3-8-29-9-4-14)19(28)21-13-1-5-23(6-2-13)24-7-10-30-12-17(24)26/h11,13-14H,1-10,12H2,(H2,20,27)(H,21,28).
What are the key properties of 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide?
1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide has a molecular weight of 420.47 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5-N-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 118535825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).