3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one

C16H28N2O3 — CID 42890913

IUPAC3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)11-14(19)18-6-4-5-13(12-18)15(20)17-7-9-21-10-8-17/h13H,4-12H2,1-3H3
InChIKeyJEDXZQBSLWXINZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.52
Rot. Bonds2

About 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one

3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 42890913) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID42890913
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)11-14(19)18-6-4-5-13(12-18)15(20)17-7-9-21-10-8-17/h13H,4-12H2,1-3H3
InChIKeyJEDXZQBSLWXINZ-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 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (CID 42890913) is 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is CC(C)(C)CC(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is JEDXZQBSLWXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)11-14(19)18-6-4-5-13(12-18)15(20)17-7-9-21-10-8-17/h13H,4-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-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 3,3-dimethyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 42890913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).