1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione

C18H23F2N3O4 — CID 176914976

IUPAC1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione
SMILESCOC(OC)C1CCN(c2cc(F)c(N3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C18H23F2N3O4/c1-26-17(27-2)11-3-6-22(7-4-11)12-9-13(19)16(14(20)10-12)23-8-5-15(24)21-18(23)25/h9-11,17H,3-8H2,1-2H3,(H,21,24,25)
InChIKeyZPPCGDMRBXHBIK-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.25
Rot. Bonds5

About 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione

1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione (PubChem CID 176914976) has the molecular formula C18H23F2N3O4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione
PubChem CID176914976
Molecular FormulaC18H23F2N3O4
Molecular Weight383.40 g/mol
Exact Mass383.17
IUPAC Name1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione
SMILESCOC(OC)C1CCN(c2cc(F)c(N3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C18H23F2N3O4/c1-26-17(27-2)11-3-6-22(7-4-11)12-9-13(19)16(14(20)10-12)23-8-5-15(24)21-18(23)25/h9-11,17H,3-8H2,1-2H3,(H,21,24,25)
InChIKeyZPPCGDMRBXHBIK-UHFFFAOYSA-N
XLogP2.25
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione (CID 176914976) is 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione is COC(OC)C1CCN(c2cc(F)c(N3CCC(=O)NC3=O)c(F)c2)CC1.
What is the InChIKey of 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione?
The InChIKey is ZPPCGDMRBXHBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O4/c1-26-17(27-2)11-3-6-22(7-4-11)12-9-13(19)16(14(20)10-12)23-8-5-15(24)21-18(23)25/h9-11,17H,3-8H2,1-2H3,(H,21,24,25).
What are the key properties of 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione?
1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione has a molecular weight of 383.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2,6-difluorophenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176914976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).