(3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one

C14H27N3O2 — CID 58441901

IUPAC(3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one
SMILESCC[C@H](C)[C@@H]1NCCN(CCN2CCOCC2)C1=O
InChIInChI=1S/C14H27N3O2/c1-3-12(2)13-14(18)17(5-4-15-13)7-6-16-8-10-19-11-9-16/h12-13,15H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyONNWVRLPLHZNDZ-STQMWFEESA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds5

About (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one

(3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one (PubChem CID 58441901) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one
PubChem CID58441901
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one
SMILESCC[C@H](C)[C@@H]1NCCN(CCN2CCOCC2)C1=O
InChIInChI=1S/C14H27N3O2/c1-3-12(2)13-14(18)17(5-4-15-13)7-6-16-8-10-19-11-9-16/h12-13,15H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyONNWVRLPLHZNDZ-STQMWFEESA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
The IUPAC name of (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one (CID 58441901) is (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
The canonical SMILES for (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one is CC[C@H](C)[C@@H]1NCCN(CCN2CCOCC2)C1=O.
What is the InChIKey of (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
The InChIKey is ONNWVRLPLHZNDZ-STQMWFEESA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-12(2)13-14(18)17(5-4-15-13)7-6-16-8-10-19-11-9-16/h12-13,15H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one?
(3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one has a molecular weight of 269.39 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-butan-2-yl]-1-(2-morpholin-4-ylethyl)piperazin-2-one is sourced from PubChem (CID 58441901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).