1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one

C11H18N2O2 — CID 166438198

IUPAC1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one
SMILESCN1CCC(C(=O)N2CCCC2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-12-7-4-9(5-8-12)11(15)13-6-2-3-10(13)14/h9H,2-8H2,1H3
InChIKeyNTRASRYIMJPLFF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.48
Rot. Bonds1

About 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one

1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one (PubChem CID 166438198) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one
PubChem CID166438198
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one
SMILESCN1CCC(C(=O)N2CCCC2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-12-7-4-9(5-8-12)11(15)13-6-2-3-10(13)14/h9H,2-8H2,1H3
InChIKeyNTRASRYIMJPLFF-UHFFFAOYSA-N
XLogP0.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one (CID 166438198) is 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one is CN1CCC(C(=O)N2CCCC2=O)CC1.
What is the InChIKey of 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is NTRASRYIMJPLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-7-4-9(5-8-12)11(15)13-6-2-3-10(13)14/h9H,2-8H2,1H3.
What are the key properties of 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one?
1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 166438198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).