4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one

C15H27N3O3 — CID 163200035

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@@H]2C)C1
InChIInChI=1S/C15H27N3O3/c1-11-9-20-5-3-17(11)13-7-14(16-15(19)8-13)18-4-6-21-10-12(18)2/h11-14H,3-10H2,1-2H3,(H,16,19)/t11-,12+,13?,14?/m1/s1
InChIKeyDUKIBCRKYFEGEN-KBHBFKLGSA-N
MW297.40 g/mol
LogP0.03
Rot. Bonds2

About 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200035) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200035
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@@H]2C)C1
InChIInChI=1S/C15H27N3O3/c1-11-9-20-5-3-17(11)13-7-14(16-15(19)8-13)18-4-6-21-10-12(18)2/h11-14H,3-10H2,1-2H3,(H,16,19)/t11-,12+,13?,14?/m1/s1
InChIKeyDUKIBCRKYFEGEN-KBHBFKLGSA-N
XLogP0.03
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200035) is 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCOC[C@@H]2C)C1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is DUKIBCRKYFEGEN-KBHBFKLGSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-9-20-5-3-17(11)13-7-14(16-15(19)8-13)18-4-6-21-10-12(18)2/h11-14H,3-10H2,1-2H3,(H,16,19)/t11-,12+,13?,14?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-[(3S)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).