N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide

C16H25N3O4 — CID 56705059

IUPACN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide
SMILESO=C(CN1C(=O)COCC1=O)NCC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H25N3O4/c20-14(9-19-15(21)10-23-11-16(19)22)17-7-12-5-6-18(8-12)13-3-1-2-4-13/h12-13H,1-11H2,(H,17,20)
InChIKeyMLVURPYLZCYFGJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.25
Rot. Bonds5

About N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide

N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide (PubChem CID 56705059) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide
PubChem CID56705059
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide
SMILESO=C(CN1C(=O)COCC1=O)NCC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H25N3O4/c20-14(9-19-15(21)10-23-11-16(19)22)17-7-12-5-6-18(8-12)13-3-1-2-4-13/h12-13H,1-11H2,(H,17,20)
InChIKeyMLVURPYLZCYFGJ-UHFFFAOYSA-N
XLogP-0.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide?
The IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide (CID 56705059) is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide is O=C(CN1C(=O)COCC1=O)NCC1CCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide?
The InChIKey is MLVURPYLZCYFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-14(9-19-15(21)10-23-11-16(19)22)17-7-12-5-6-18(8-12)13-3-1-2-4-13/h12-13H,1-11H2,(H,17,20).
What are the key properties of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide?
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide has a molecular weight of 323.39 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-(3,5-dioxomorpholin-4-yl)acetamide is sourced from PubChem (CID 56705059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).