1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione

C13H20N2O3 — CID 118216243

IUPAC1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione
SMILESCC(OCC1CCN(C)CC1)N1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O3/c1-10(15-12(16)3-4-13(15)17)18-9-11-5-7-14(2)8-6-11/h3-4,10-11H,5-9H2,1-2H3
InChIKeyNKLCYKALSBVSRE-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.62
Rot. Bonds4

About 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione

1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione (PubChem CID 118216243) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione
PubChem CID118216243
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione
SMILESCC(OCC1CCN(C)CC1)N1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O3/c1-10(15-12(16)3-4-13(15)17)18-9-11-5-7-14(2)8-6-11/h3-4,10-11H,5-9H2,1-2H3
InChIKeyNKLCYKALSBVSRE-UHFFFAOYSA-N
XLogP0.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
1-[(1-methylpiperidin-4-yl)methoxy]-2-pyridin-4-yloxyethanol
CID 173189922
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine
CID 129028091
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
propan-2-yl 2-(1-methylpiperidin-4-yl)acetate
CID 83983017
1-methyl-4-(2-propylpentoxymethyl)piperidine
CID 162741484
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione (CID 118216243) is 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione is CC(OCC1CCN(C)CC1)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is NKLCYKALSBVSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(15-12(16)3-4-13(15)17)18-9-11-5-7-14(2)8-6-11/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione?
1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 252.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpiperidin-4-yl)methoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 118216243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).