4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one

C15H27N3O3 — CID 164633272

IUPAC4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESCC(C)C[C@H]1CN(C)CCN1C(=O)CN1CCOCC1=O
InChIInChI=1S/C15H27N3O3/c1-12(2)8-13-9-16(3)4-5-18(13)14(19)10-17-6-7-21-11-15(17)20/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyDNPXTICHISHFMA-ZDUSSCGKSA-N
MW297.40 g/mol
LogP0.03
Rot. Bonds4

About 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one

4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one (PubChem CID 164633272) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
PubChem CID164633272
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESCC(C)C[C@H]1CN(C)CCN1C(=O)CN1CCOCC1=O
InChIInChI=1S/C15H27N3O3/c1-12(2)8-13-9-16(3)4-5-18(13)14(19)10-17-6-7-21-11-15(17)20/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyDNPXTICHISHFMA-ZDUSSCGKSA-N
XLogP0.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
The IUPAC name of 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one (CID 164633272) is 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one is CC(C)C[C@H]1CN(C)CCN1C(=O)CN1CCOCC1=O.
What is the InChIKey of 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
The InChIKey is DNPXTICHISHFMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(2)8-13-9-16(3)4-5-18(13)14(19)10-17-6-7-21-11-15(17)20/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one?
4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one has a molecular weight of 297.40 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one is sourced from PubChem (CID 164633272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).