(3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

C19H30N4O3 — CID 155505259

About (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

(3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155505259) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
• PubChem CID: 155505259
• Molecular Formula: C19H30N4O3
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.23
• IUPAC Name: (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
• SMILES: Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2(C)COC2)cn1
• InChI: InChI=1S/C19H30N4O3/c1-19(13-25-14-19)18(24)23-8-9-26-16(12-22-6-4-3-5-7-22)17(23)15-10-20-21(2)11-15/h10-11,16-17H,3-9,12-14H2,1-2H3/t16-,17-/m0/s1
• InChIKey: XVVKURHFMHTEBT-IRXDYDNUSA-N
• XLogP: 1.21
• TPSA: 59.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?

The IUPAC name of (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155505259) is (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.

What is the SMILES notation for (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?

The canonical SMILES for (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2(C)COC2)cn1.

What is the InChIKey of (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?

The InChIKey is XVVKURHFMHTEBT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-19(13-25-14-19)18(24)23-8-9-26-16(12-22-6-4-3-5-7-22)17(23)15-10-20-21(2)11-15/h10-11,16-17H,3-9,12-14H2,1-2H3/t16-,17-/m0/s1.

What are the key properties of (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?

(3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 362.47 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyloxetan-3-yl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155505259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).