[3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone

C30H38N4O2 — CID 56857916

About [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 56857916) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone
• PubChem CID: 56857916
• Molecular Formula: C30H38N4O2
• Molecular Weight: 486.66 g/mol
• Exact Mass: 486.30
• IUPAC Name: [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone
• SMILES: Cc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCC(N(C)C)C3)CN(Cc3ccc4ccccc4c3)C2)cn1
• InChI: InChI=1S/C30H38N4O2/c1-22-8-11-29(16-31-22)36-21-24-15-27(30(35)34-13-12-28(20-34)32(2)3)19-33(18-24)17-23-9-10-25-6-4-5-7-26(25)14-23/h4-11,14,16,24,27-28H,12-13,15,17-21H2,1-3H3/t24-,27+,28?/m0/s1
• InChIKey: XZCBHGORFSMGHC-LSSUXWNUSA-N
• XLogP: 4.22
• TPSA: 48.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.66
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone?

The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone (CID 56857916) is [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone.

What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone?

The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone is Cc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCC(N(C)C)C3)CN(Cc3ccc4ccccc4c3)C2)cn1.

What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone?

The InChIKey is XZCBHGORFSMGHC-LSSUXWNUSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-22-8-11-29(16-31-22)36-21-24-15-27(30(35)34-13-12-28(20-34)32(2)3)19-33(18-24)17-23-9-10-25-6-4-5-7-26(25)14-23/h4-11,14,16,24,27-28H,12-13,15,17-21H2,1-3H3/t24-,27+,28?/m0/s1.

What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone?

[3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 486.66 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 56857916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).