1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one

C16H30N2O2 — CID 171800402

IUPAC1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one
SMILESCCC(=O)CCN1CCC(COC2CCN(C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-15(19)5-11-18-10-4-14(12-18)13-20-16-6-8-17(2)9-7-16/h14,16H,3-13H2,1-2H3
InChIKeyGPHZPHLCWAPMRW-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds7

About 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one

1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one (PubChem CID 171800402) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one.

Molecular Properties

Compound Name1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one
PubChem CID171800402
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one
SMILESCCC(=O)CCN1CCC(COC2CCN(C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-15(19)5-11-18-10-4-14(12-18)13-20-16-6-8-17(2)9-7-16/h14,16H,3-13H2,1-2H3
InChIKeyGPHZPHLCWAPMRW-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one?
The IUPAC name of 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one (CID 171800402) is 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one.
What is the SMILES notation for 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one?
The canonical SMILES for 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one is CCC(=O)CCN1CCC(COC2CCN(C)CC2)C1.
What is the InChIKey of 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one?
The InChIKey is GPHZPHLCWAPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-15(19)5-11-18-10-4-14(12-18)13-20-16-6-8-17(2)9-7-16/h14,16H,3-13H2,1-2H3.
What are the key properties of 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one?
1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one has a molecular weight of 282.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpiperidin-4-yl)oxymethyl]pyrrolidin-1-yl]pentan-3-one is sourced from PubChem (CID 171800402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).