3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one

C13H24N2O2 — CID 63847418

IUPAC3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one
SMILESCCCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C13H24N2O2/c1-2-6-14-9-11-4-3-7-15(10-11)12-5-8-17-13(12)16/h11-12,14H,2-10H2,1H3
InChIKeySAAXWKTXQNYZIG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds5

About 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one

3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one (PubChem CID 63847418) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one
PubChem CID63847418
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one
SMILESCCCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C13H24N2O2/c1-2-6-14-9-11-4-3-7-15(10-11)12-5-8-17-13(12)16/h11-12,14H,2-10H2,1H3
InChIKeySAAXWKTXQNYZIG-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one (CID 63847418) is 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one is CCCNCC1CCCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one?
The InChIKey is SAAXWKTXQNYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-6-14-9-11-4-3-7-15(10-11)12-5-8-17-13(12)16/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one?
3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propylaminomethyl)piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 63847418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).