1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione

C27H43N5O4 — CID 156707375

About 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione

1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 156707375) has the molecular formula C27H43N5O4 and a molecular weight of 501.67 g/mol. Its IUPAC name is 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
• PubChem CID: 156707375
• Molecular Formula: C27H43N5O4
• Molecular Weight: 501.67 g/mol
• Exact Mass: 501.33
• IUPAC Name: 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
• SMILES: CC(C)CCN1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)CC1
• InChI: InChI=1S/C27H43N5O4/c1-21(2)5-12-29-13-6-23(7-14-29)36-24-8-15-30(16-9-24)18-19-31-11-3-4-22(26(31)34)20-32-17-10-25(33)28-27(32)35/h3-4,11,21,23-24H,5-10,12-20H2,1-2H3,(H,28,33,35)
• InChIKey: CDWQWZICQSLQNA-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.67
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione (CID 156707375) is 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione is CC(C)CCN1CCC(OC2CCN(CCn3cccc(CN4CCC(=O)NC4=O)c3=O)CC2)CC1.

What is the InChIKey of 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?

The InChIKey is CDWQWZICQSLQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O4/c1-21(2)5-12-29-13-6-23(7-14-29)36-24-8-15-30(16-9-24)18-19-31-11-3-4-22(26(31)34)20-32-17-10-25(33)28-27(32)35/h3-4,11,21,23-24H,5-10,12-20H2,1-2H3,(H,28,33,35).

What are the key properties of 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione?

1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 501.67 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[2-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidin-1-yl]ethyl]-2-oxo-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156707375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).