1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one

C12H22N2O — CID 174564304

IUPAC1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one
SMILESCC1C(=O)CC(CN2CCCCC2)N1C
InChIInChI=1S/C12H22N2O/c1-10-12(15)8-11(13(10)2)9-14-6-4-3-5-7-14/h10-11H,3-9H2,1-2H3
InChIKeyPUODGGANUOYBJW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.13
Rot. Bonds2

About 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one

1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one (PubChem CID 174564304) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one
PubChem CID174564304
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one
SMILESCC1C(=O)CC(CN2CCCCC2)N1C
InChIInChI=1S/C12H22N2O/c1-10-12(15)8-11(13(10)2)9-14-6-4-3-5-7-14/h10-11H,3-9H2,1-2H3
InChIKeyPUODGGANUOYBJW-UHFFFAOYSA-N
XLogP1.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one?
The IUPAC name of 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one (CID 174564304) is 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one.
What is the SMILES notation for 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one?
The canonical SMILES for 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one is CC1C(=O)CC(CN2CCCCC2)N1C.
What is the InChIKey of 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one?
The InChIKey is PUODGGANUOYBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-12(15)8-11(13(10)2)9-14-6-4-3-5-7-14/h10-11H,3-9H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one?
1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one has a molecular weight of 210.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one is sourced from PubChem (CID 174564304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).