methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate

C18H31N3O4 — CID 143410712

IUPACmethane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate
SMILESC.O=C(OCCN1CCCC1=O)C(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C17H27N3O4.CH4/c21-15-2-1-7-19(15)10-11-24-17(23)16(22)20-8-4-13(5-9-20)14-3-6-18-12-14;/h13-14,18H,1-12H2;1H4
InChIKeyYQBWVLQZWKSUCG-UHFFFAOYSA-N
MW353.46 g/mol
LogP0.64
Rot. Bonds4

About methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate

methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate (PubChem CID 143410712) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate
PubChem CID143410712
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Namemethane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate
SMILESC.O=C(OCCN1CCCC1=O)C(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C17H27N3O4.CH4/c21-15-2-1-7-19(15)10-11-24-17(23)16(22)20-8-4-13(5-9-20)14-3-6-18-12-14;/h13-14,18H,1-12H2;1H4
InChIKeyYQBWVLQZWKSUCG-UHFFFAOYSA-N
XLogP0.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate?
The IUPAC name of methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate (CID 143410712) is methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate.
What is the SMILES notation for methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate?
The canonical SMILES for methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate is C.O=C(OCCN1CCCC1=O)C(=O)N1CCC(C2CCNC2)CC1.
What is the InChIKey of methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate?
The InChIKey is YQBWVLQZWKSUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4.CH4/c21-15-2-1-7-19(15)10-11-24-17(23)16(22)20-8-4-13(5-9-20)14-3-6-18-12-14;/h13-14,18H,1-12H2;1H4.
What are the key properties of methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate?
methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate has a molecular weight of 353.46 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(2-oxopyrrolidin-1-yl)ethyl 2-oxo-2-(4-pyrrolidin-3-ylpiperidin-1-yl)acetate is sourced from PubChem (CID 143410712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).