(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone

C19H32N4O2 — CID 75515946

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCCc1nn(C)cc1CN1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-5-18-17(12-21(4)20-18)13-22-8-6-16(7-9-22)19(24)23-10-14(2)25-15(3)11-23/h12,14-16H,5-11,13H2,1-4H3
InChIKeyMOLMAUOHYDBXAY-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.83
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 75515946) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID75515946
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESCCc1nn(C)cc1CN1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-5-18-17(12-21(4)20-18)13-22-8-6-16(7-9-22)19(24)23-10-14(2)25-15(3)11-23/h12,14-16H,5-11,13H2,1-4H3
InChIKeyMOLMAUOHYDBXAY-UHFFFAOYSA-N
XLogP1.83
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone (CID 75515946) is (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone is CCc1nn(C)cc1CN1CCC(C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is MOLMAUOHYDBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-18-17(12-21(4)20-18)13-22-8-6-16(7-9-22)19(24)23-10-14(2)25-15(3)11-23/h12,14-16H,5-11,13H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 75515946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).