1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one

C20H33N3O4 — CID 127284451

IUPAC1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCCCC2C(=O)N2CCOCC2)C1
InChIInChI=1S/C20H33N3O4/c1-2-6-18(24)22-9-5-7-16(15-22)19(25)23-10-4-3-8-17(23)20(26)21-11-13-27-14-12-21/h16-17H,2-15H2,1H3
InChIKeyRUPBDLFQWVHBOT-UHFFFAOYSA-N
MW379.50 g/mol
LogP1.26
Rot. Bonds4

About 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one

1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one (PubChem CID 127284451) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
PubChem CID127284451
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCCCC2C(=O)N2CCOCC2)C1
InChIInChI=1S/C20H33N3O4/c1-2-6-18(24)22-9-5-7-16(15-22)19(25)23-10-4-3-8-17(23)20(26)21-11-13-27-14-12-21/h16-17H,2-15H2,1H3
InChIKeyRUPBDLFQWVHBOT-UHFFFAOYSA-N
XLogP1.26
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one (CID 127284451) is 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(C(=O)N2CCCCC2C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
The InChIKey is RUPBDLFQWVHBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-2-6-18(24)22-9-5-7-16(15-22)19(25)23-10-4-3-8-17(23)20(26)21-11-13-27-14-12-21/h16-17H,2-15H2,1H3.
What are the key properties of 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one has a molecular weight of 379.50 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(morpholine-4-carbonyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 127284451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).