4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one

C12H20N2O2 — CID 78957612

IUPAC4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1(C)CCCN(C(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C12H20N2O2/c1-12(2)4-3-5-14(8-12)11(16)9-6-10(15)13-7-9/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyMVDFUBUJMQTCKT-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds1

About 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one

4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 78957612) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID78957612
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1(C)CCCN(C(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C12H20N2O2/c1-12(2)4-3-5-14(8-12)11(16)9-6-10(15)13-7-9/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyMVDFUBUJMQTCKT-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 78957612) is 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one is CC1(C)CCCN(C(=O)C2CNC(=O)C2)C1.
What is the InChIKey of 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is MVDFUBUJMQTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2)4-3-5-14(8-12)11(16)9-6-10(15)13-7-9/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 224.30 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 78957612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).