4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one

C15H27N3O2 — CID 63606211

IUPAC4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1CCC(C)N1C(C)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H27N3O2/c1-10-6-7-11(2)18(10)12(3)13(19)17-9-8-16-14(20)15(17,4)5/h10-12H,6-9H2,1-5H3,(H,16,20)
InChIKeyIGUMQHGTIZMLGZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.98
Rot. Bonds2

About 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one

4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63606211) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one
PubChem CID63606211
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1CCC(C)N1C(C)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H27N3O2/c1-10-6-7-11(2)18(10)12(3)13(19)17-9-8-16-14(20)15(17,4)5/h10-12H,6-9H2,1-5H3,(H,16,20)
InChIKeyIGUMQHGTIZMLGZ-UHFFFAOYSA-N
XLogP0.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-2-methylbutanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
CID 120500452
4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
CID 63607228
2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
CID 3157129
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862
2,2-dimethyl-3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide
CID 63606597
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
3,3-dimethyl-4-[2-(4-methylphenoxy)propanoyl]piperazin-2-one
CID 63362540
N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
CID 63605854
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
3,3-dimethyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 63361975
3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
CID 114424023
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 63608085

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one (CID 63606211) is 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one is CC1CCC(C)N1C(C)C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is IGUMQHGTIZMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10-6-7-11(2)18(10)12(3)13(19)17-9-8-16-14(20)15(17,4)5/h10-12H,6-9H2,1-5H3,(H,16,20).
What are the key properties of 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one?
4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 281.40 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).