1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one

C12H23N3O — CID 107911656

IUPAC1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one
SMILESCN1CC(NCCN2CCCC2)CCC1=O
InChIInChI=1S/C12H23N3O/c1-14-10-11(4-5-12(14)16)13-6-9-15-7-2-3-8-15/h11,13H,2-10H2,1H3
InChIKeyANUPWYKQUXPTHF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds4

About 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one

1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one (PubChem CID 107911656) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one
PubChem CID107911656
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one
SMILESCN1CC(NCCN2CCCC2)CCC1=O
InChIInChI=1S/C12H23N3O/c1-14-10-11(4-5-12(14)16)13-6-9-15-7-2-3-8-15/h11,13H,2-10H2,1H3
InChIKeyANUPWYKQUXPTHF-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one (CID 107911656) is 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one is CN1CC(NCCN2CCCC2)CCC1=O.
What is the InChIKey of 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one?
The InChIKey is ANUPWYKQUXPTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-10-11(4-5-12(14)16)13-6-9-15-7-2-3-8-15/h11,13H,2-10H2,1H3.
What are the key properties of 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one?
1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-pyrrolidin-1-ylethylamino)piperidin-2-one is sourced from PubChem (CID 107911656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).