3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C20H36N2O3 — CID 45240685

IUPAC3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)CC(CN2CCC(CCC(=O)N3CCOCC3)CC2)CCO1
InChIInChI=1S/C20H36N2O3/c1-20(2)15-18(7-12-25-20)16-21-8-5-17(6-9-21)3-4-19(23)22-10-13-24-14-11-22/h17-18H,3-16H2,1-2H3
InChIKeyAQIGWSDSFWVOAY-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.54
Rot. Bonds5

About 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 45240685) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID45240685
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)CC(CN2CCC(CCC(=O)N3CCOCC3)CC2)CCO1
InChIInChI=1S/C20H36N2O3/c1-20(2)15-18(7-12-25-20)16-21-8-5-17(6-9-21)3-4-19(23)22-10-13-24-14-11-22/h17-18H,3-16H2,1-2H3
InChIKeyAQIGWSDSFWVOAY-UHFFFAOYSA-N
XLogP2.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 45240685) is 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is CC1(C)CC(CN2CCC(CCC(=O)N3CCOCC3)CC2)CCO1.
What is the InChIKey of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is AQIGWSDSFWVOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-20(2)15-18(7-12-25-20)16-21-8-5-17(6-9-21)3-4-19(23)22-10-13-24-14-11-22/h17-18H,3-16H2,1-2H3.
What are the key properties of 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 352.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 45240685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).