3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride

C15H28ClN3O2 — CID 119919883

IUPAC3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCNC1CCCN(C2CCN(C3CCOCC3)C2=O)C1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-16-12-3-2-7-17(11-12)14-4-8-18(15(14)19)13-5-9-20-10-6-13;/h12-14,16H,2-11H2,1H3;1H
InChIKeyGVTJLCWYADRSOP-UHFFFAOYSA-N
MW317.86 g/mol
LogP0.87
Rot. Bonds3

About 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride

3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride (PubChem CID 119919883) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
PubChem CID119919883
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
SMILESCNC1CCCN(C2CCN(C3CCOCC3)C2=O)C1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-16-12-3-2-7-17(11-12)14-4-8-18(15(14)19)13-5-9-20-10-6-13;/h12-14,16H,2-11H2,1H3;1H
InChIKeyGVTJLCWYADRSOP-UHFFFAOYSA-N
XLogP0.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride 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 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride (CID 119919883) is 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride is CNC1CCCN(C2CCN(C3CCOCC3)C2=O)C1.Cl.
What is the InChIKey of 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
The InChIKey is GVTJLCWYADRSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-16-12-3-2-7-17(11-12)14-4-8-18(15(14)19)13-5-9-20-10-6-13;/h12-14,16H,2-11H2,1H3;1H.
What are the key properties of 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride?
3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119919883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).