1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone

C20H31N3O2 — CID 120817105

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CN(Cc3ccccc3)CCO2)CCC1N
InChIInChI=1S/C20H31N3O2/c1-20(2)15-23(9-8-18(20)21)19(24)12-17-14-22(10-11-25-17)13-16-6-4-3-5-7-16/h3-7,17-18H,8-15,21H2,1-2H3
InChIKeyIYGLWAJKLUPVDJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.86
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone (PubChem CID 120817105) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone
PubChem CID120817105
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CN(Cc3ccccc3)CCO2)CCC1N
InChIInChI=1S/C20H31N3O2/c1-20(2)15-23(9-8-18(20)21)19(24)12-17-14-22(10-11-25-17)13-16-6-4-3-5-7-16/h3-7,17-18H,8-15,21H2,1-2H3
InChIKeyIYGLWAJKLUPVDJ-UHFFFAOYSA-N
XLogP1.86
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone (CID 120817105) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone is CC1(C)CN(C(=O)CC2CN(Cc3ccccc3)CCO2)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone?
The InChIKey is IYGLWAJKLUPVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2)15-23(9-8-18(20)21)19(24)12-17-14-22(10-11-25-17)13-16-6-4-3-5-7-16/h3-7,17-18H,8-15,21H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone has a molecular weight of 345.49 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone is sourced from PubChem (CID 120817105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).