2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one

C15H28N2O2 — CID 82836447

IUPAC2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCC1CCC(CNC2CCN(C(=O)C(C)C)CC2)O1
InChIInChI=1S/C15H28N2O2/c1-11(2)15(18)17-8-6-13(7-9-17)16-10-14-5-4-12(3)19-14/h11-14,16H,4-10H2,1-3H3
InChIKeyXYZIBNJSQAHYHA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 82836447) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID82836447
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCC1CCC(CNC2CCN(C(=O)C(C)C)CC2)O1
InChIInChI=1S/C15H28N2O2/c1-11(2)15(18)17-8-6-13(7-9-17)16-10-14-5-4-12(3)19-14/h11-14,16H,4-10H2,1-3H3
InChIKeyXYZIBNJSQAHYHA-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one (CID 82836447) is 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one is CC1CCC(CNC2CCN(C(=O)C(C)C)CC2)O1.
What is the InChIKey of 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is XYZIBNJSQAHYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)15(18)17-8-6-13(7-9-17)16-10-14-5-4-12(3)19-14/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(5-methyloxolan-2-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 82836447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).