3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one

C16H31N3O — CID 126824325

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one
SMILESCN(C)C1CCN(C2CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C16H31N3O/c1-16(2,3)12-19-9-6-7-14(15(19)20)18-10-8-13(11-18)17(4)5/h13-14H,6-12H2,1-5H3
InChIKeyCYZVTJOBSLETAL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.66
Rot. Bonds3

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one

3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one (PubChem CID 126824325) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one
PubChem CID126824325
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one
SMILESCN(C)C1CCN(C2CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C16H31N3O/c1-16(2,3)12-19-9-6-7-14(15(19)20)18-10-8-13(11-18)17(4)5/h13-14H,6-12H2,1-5H3
InChIKeyCYZVTJOBSLETAL-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one (CID 126824325) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one is CN(C)C1CCN(C2CCCN(CC(C)(C)C)C2=O)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one?
The InChIKey is CYZVTJOBSLETAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2,3)12-19-9-6-7-14(15(19)20)18-10-8-13(11-18)17(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one?
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one has a molecular weight of 281.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,2-dimethylpropyl)piperidin-2-one is sourced from PubChem (CID 126824325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).