[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

C12H22N2O2 — CID 121201544

IUPAC[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCOCC1CCCCN1C(=O)C1CCNC1
InChIInChI=1S/C12H22N2O2/c1-16-9-11-4-2-3-7-14(11)12(15)10-5-6-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeySLTBULIPHFZLDM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 121201544) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID121201544
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCOCC1CCCCN1C(=O)C1CCNC1
InChIInChI=1S/C12H22N2O2/c1-16-9-11-4-2-3-7-14(11)12(15)10-5-6-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeySLTBULIPHFZLDM-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 121201544) is [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is COCC1CCCCN1C(=O)C1CCNC1.
What is the InChIKey of [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is SLTBULIPHFZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-9-11-4-2-3-7-14(11)12(15)10-5-6-13-8-10/h10-11,13H,2-9H2,1H3.
What are the key properties of [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 121201544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).