1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one

C16H28N2O3 — CID 42943799

IUPAC1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC(C)O1
InChIInChI=1S/C16H28N2O3/c1-11(2)15(19)17-7-5-14(6-8-17)16(20)18-9-12(3)21-13(4)10-18/h11-14H,5-10H2,1-4H3
InChIKeyOWAKAMNKHAKHCH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.52
Rot. Bonds2

About 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 42943799) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID42943799
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC(C)O1
InChIInChI=1S/C16H28N2O3/c1-11(2)15(19)17-7-5-14(6-8-17)16(20)18-9-12(3)21-13(4)10-18/h11-14H,5-10H2,1-4H3
InChIKeyOWAKAMNKHAKHCH-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one (CID 42943799) is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one is CC1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OWAKAMNKHAKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)15(19)17-7-5-14(6-8-17)16(20)18-9-12(3)21-13(4)10-18/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 42943799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).