[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone

C20H29N5O2 — CID 95210050

About [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone

[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone (PubChem CID 95210050) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
• PubChem CID: 95210050
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
• SMILES: COC[C@H]1CCCN(C(=O)c2ccc(NCc3nccn3C(C)C)nc2)C1
• InChI: InChI=1S/C20H29N5O2/c1-15(2)25-10-8-21-19(25)12-23-18-7-6-17(11-22-18)20(26)24-9-4-5-16(13-24)14-27-3/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3,(H,22,23)/t16-/m0/s1
• InChIKey: VXEOKRCLERSDCT-INIZCTEOSA-N
• XLogP: 2.97
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone?

The IUPAC name of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone (CID 95210050) is [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone.

What is the SMILES notation for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone?

The canonical SMILES for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone is COC[C@H]1CCCN(C(=O)c2ccc(NCc3nccn3C(C)C)nc2)C1.

What is the InChIKey of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone?

The InChIKey is VXEOKRCLERSDCT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15(2)25-10-8-21-19(25)12-23-18-7-6-17(11-22-18)20(26)24-9-4-5-16(13-24)14-27-3/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3,(H,22,23)/t16-/m0/s1.

What are the key properties of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone?

[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone has a molecular weight of 371.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 95210050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).