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

C15H26N2O3 — CID 42885649

IUPAC3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O3/c1-12(2)10-14(18)17-5-3-4-13(11-17)15(19)16-6-8-20-9-7-16/h12-13H,3-11H2,1-2H3
InChIKeyTYAHKCSEUSSDKH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.13
Rot. Bonds3

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

3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 42885649) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID42885649
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O3/c1-12(2)10-14(18)17-5-3-4-13(11-17)15(19)16-6-8-20-9-7-16/h12-13H,3-11H2,1-2H3
InChIKeyTYAHKCSEUSSDKH-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (CID 42885649) is 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is TYAHKCSEUSSDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)10-14(18)17-5-3-4-13(11-17)15(19)16-6-8-20-9-7-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 282.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 42885649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).