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

C14H24N2O3 — CID 42935457

IUPAC1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-4-13(17)16-6-3-5-12(11-16)14(18)15-7-9-19-10-8-15/h12H,2-11H2,1H3
InChIKeyWRYUBMUUJOMFQB-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.88
Rot. Bonds3

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

1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 42935457) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID42935457
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O3/c1-2-4-13(17)16-6-3-5-12(11-16)14(18)15-7-9-19-10-8-15/h12H,2-11H2,1H3
InChIKeyWRYUBMUUJOMFQB-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (CID 42935457) is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is WRYUBMUUJOMFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-4-13(17)16-6-3-5-12(11-16)14(18)15-7-9-19-10-8-15/h12H,2-11H2,1H3.
What are the key properties of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 268.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 42935457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).