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

C21H29N5O3 — CID 155913679

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

(2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155913679) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
• PubChem CID: 155913679
• Molecular Formula: C21H29N5O3
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.23
• IUPAC Name: (2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
• SMILES: COc1ncccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1
• InChI: InChI=1S/C21H29N5O3/c1-24-14-16(13-23-24)19-18(15-25-9-4-3-5-10-25)29-12-11-26(19)21(27)17-7-6-8-22-20(17)28-2/h6-8,13-14,18-19H,3-5,9-12,15H2,1-2H3/t18-,19-/m0/s1
• InChIKey: CGCUQZIOSPPFTF-OALUTQOASA-N
• XLogP: 1.89
• TPSA: 72.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155913679) is (2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.

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

The canonical SMILES for (2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is COc1ncccc1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1.

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

The InChIKey is CGCUQZIOSPPFTF-OALUTQOASA-N. The full InChI is InChI=1S/C21H29N5O3/c1-24-14-16(13-23-24)19-18(15-25-9-4-3-5-10-25)29-12-11-26(19)21(27)17-7-6-8-22-20(17)28-2/h6-8,13-14,18-19H,3-5,9-12,15H2,1-2H3/t18-,19-/m0/s1.

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

(2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-3-pyridinyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155913679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).