3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione

C18H25N3O5 — CID 170954059

IUPAC3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione
SMILESCOC(OC)C1CCN(c2ccn(C3CCC(=O)NC3=O)c(=O)c2)CC1
InChIInChI=1S/C18H25N3O5/c1-25-18(26-2)12-5-8-20(9-6-12)13-7-10-21(16(23)11-13)14-3-4-15(22)19-17(14)24/h7,10-12,14,18H,3-6,8-9H2,1-2H3,(H,19,22,24)
InChIKeySPFCMZMJDWVGKU-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.66
Rot. Bonds5

About 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione

3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione (PubChem CID 170954059) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione
PubChem CID170954059
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione
SMILESCOC(OC)C1CCN(c2ccn(C3CCC(=O)NC3=O)c(=O)c2)CC1
InChIInChI=1S/C18H25N3O5/c1-25-18(26-2)12-5-8-20(9-6-12)13-7-10-21(16(23)11-13)14-3-4-15(22)19-17(14)24/h7,10-12,14,18H,3-6,8-9H2,1-2H3,(H,19,22,24)
InChIKeySPFCMZMJDWVGKU-UHFFFAOYSA-N
XLogP0.66
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165137919
3-[[5-[4-(dimethoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
CID 176705502
3-[2-[4-(dimethoxymethyl)piperidin-1-yl]-7-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 176694942
3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-5,7-difluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165138113
3-[5-[3-(dimethoxymethyl)azetidin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174315913
3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
CID 176705444
3-[3-methyl-2-oxo-5-(4-phosphanylpiperidin-1-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 176963119
5-[4-[[4-(2,2-dimethoxyethyl)piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156866654
1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine
CID 134579327
5-[4-[[4-(2,2-dimethoxyethyl)piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;molecular hydrogen
CID 156867003
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione (CID 170954059) is 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione is COC(OC)C1CCN(c2ccn(C3CCC(=O)NC3=O)c(=O)c2)CC1.
What is the InChIKey of 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione?
The InChIKey is SPFCMZMJDWVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-25-18(26-2)12-5-8-20(9-6-12)13-7-10-21(16(23)11-13)14-3-4-15(22)19-17(14)24/h7,10-12,14,18H,3-6,8-9H2,1-2H3,(H,19,22,24).
What are the key properties of 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione?
3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione has a molecular weight of 363.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-oxo-1-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 170954059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).