(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate

C12H18N2O4 — CID 146406428

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate
SMILESCN1CCCC(CC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C12H18N2O4/c1-13-6-2-3-9(8-13)7-12(17)18-14-10(15)4-5-11(14)16/h9H,2-8H2,1H3
InChIKeyWPIPKMXUQGTXQV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.33
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate (PubChem CID 146406428) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate
PubChem CID146406428
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate
SMILESCN1CCCC(CC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C12H18N2O4/c1-13-6-2-3-9(8-13)7-12(17)18-14-10(15)4-5-11(14)16/h9H,2-8H2,1H3
InChIKeyWPIPKMXUQGTXQV-UHFFFAOYSA-N
XLogP0.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate
CID 59096569
tert-butyl (3S)-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 157049193
(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
CID 21030166
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]piperidine-1-sulfinate
CID 171812484
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
2-[(1-methylpiperidin-3-yl)methyl]prop-2-enoic acid
CID 117266962
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate
CID 160509957
tert-butyl 3-[(1-methylpiperidin-3-yl)methylamino]propanoate
CID 103244424

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate (CID 146406428) is (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate is CN1CCCC(CC(=O)ON2C(=O)CCC2=O)C1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate?
The InChIKey is WPIPKMXUQGTXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13-6-2-3-9(8-13)7-12(17)18-14-10(15)4-5-11(14)16/h9H,2-8H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate has a molecular weight of 254.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate is sourced from PubChem (CID 146406428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).