4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

C15H27N3O3 — CID 45176856

IUPAC4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)N1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)11-18-5-4-16-14(20)12(18)10-13(19)17-6-8-21-9-7-17/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeySZCWOAWDWNIEPZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.08
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (PubChem CID 45176856) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
PubChem CID45176856
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)N1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)11-18-5-4-16-14(20)12(18)10-13(19)17-6-8-21-9-7-17/h12H,4-11H2,1-3H3,(H,16,20)
InChIKeySZCWOAWDWNIEPZ-UHFFFAOYSA-N
XLogP0.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-Dimethylpropyl)-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 16191235
N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
N-{1-[(2-Methoxy-ethylcarbamoyl)-methyl]-piperidin-4-yl}-2,2-dimethyl-propionamide
CID 3221021
methyl N-{[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]acetyl}-N-methylglycinate
CID 16191667
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24791321
1-(Morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one
CID 16769381
2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide
CID 25283128
N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide
CID 119038295
1-(2-Fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 110283326
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 110283368
(2S)-N-(4-fluoro-3-oxobutan-2-yl)-2-(methylamino)-4-morpholin-4-yl-4-oxobutanamide
CID 141910807
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 3229545

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (CID 45176856) is 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is CC(C)(C)CN1CCNC(=O)C1CC(=O)N1CCOCC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The InChIKey is SZCWOAWDWNIEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)11-18-5-4-16-14(20)12(18)10-13(19)17-6-8-21-9-7-17/h12H,4-11H2,1-3H3,(H,16,20).
What are the key properties of 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one has a molecular weight of 297.40 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is sourced from PubChem (CID 45176856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).