1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one

C12H23N3O — CID 114504246

IUPAC1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C12H23N3O/c1-9-8-14(3)6-5-11(9)15-7-4-10(13-2)12(15)16/h9-11,13H,4-8H2,1-3H3
InChIKeyPPCCHCQALMJZCY-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one

1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 114504246) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
PubChem CID114504246
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C12H23N3O/c1-9-8-14(3)6-5-11(9)15-7-4-10(13-2)12(15)16/h9-11,13H,4-8H2,1-3H3
InChIKeyPPCCHCQALMJZCY-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one (CID 114504246) is 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(C2CCN(C)CC2C)C1=O.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is PPCCHCQALMJZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-8-14(3)6-5-11(9)15-7-4-10(13-2)12(15)16/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one?
1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 114504246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).