3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one

C14H26N2O2 — CID 807162

IUPAC3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15/h12-13H,3-11H2,1-2H3
InChIKeyUXVAGNTVHAOFQP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.36
Rot. Bonds3

About 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one

3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one (PubChem CID 807162) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one
PubChem CID807162
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15/h12-13H,3-11H2,1-2H3
InChIKeyUXVAGNTVHAOFQP-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one (CID 807162) is 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one is CC(C)CC(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one?
The InChIKey is UXVAGNTVHAOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-18-10-8-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one?
3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 807162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).