4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

C13H24N2O3 — CID 122147376

IUPAC4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(C(=O)C(C)(C)O)CC1(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)15-10(16)7-14(8-12(15,3)4)11(17)13(5,6)18/h9,18H,7-8H2,1-6H3
InChIKeyXKBMRTPKYRLLND-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.62
Rot. Bonds2

About 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 122147376) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID122147376
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(C(=O)C(C)(C)O)CC1(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)15-10(16)7-14(8-12(15,3)4)11(17)13(5,6)18/h9,18H,7-8H2,1-6H3
InChIKeyXKBMRTPKYRLLND-UHFFFAOYSA-N
XLogP0.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-propan-2-ylazetidin-2-one
CID 15269781
4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 75374977
1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 104937026
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
6,6-dimethyl-1-propan-2-yl-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 136535636
6,6-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-2-one
CID 146153229
6,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperazin-2-one;hydrochloride
CID 120903615
6,6-dimethyl-4-(3-methylphenyl)sulfonyl-1-propan-2-ylpiperazin-2-one
CID 146126571
4-(4-tert-butylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708986
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
CID 110708995

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (CID 122147376) is 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is CC(C)N1C(=O)CN(C(=O)C(C)(C)O)CC1(C)C.
What is the InChIKey of 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is XKBMRTPKYRLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15-10(16)7-14(8-12(15,3)4)11(17)13(5,6)18/h9,18H,7-8H2,1-6H3.
What are the key properties of 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropanoyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 122147376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).