(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one

C17H24N2O2 — CID 137335175

IUPAC(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
SMILESCCC(C)(C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-4-17(2,3)16(21)19-11-14(18-15(20)12-19)10-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyQMPIPTLUCSFENS-AWEZNQCLSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds4

About (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one

(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one (PubChem CID 137335175) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
PubChem CID137335175
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
SMILESCCC(C)(C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-4-17(2,3)16(21)19-11-14(18-15(20)12-19)10-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyQMPIPTLUCSFENS-AWEZNQCLSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 137342622
(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one
CID 137344270
(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
CID 137334191
4-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-cyclohexyl-N-methyl-4-oxobutanamide
CID 137341590
(6S)-6-benzyl-4-[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazin-2-one
CID 172660694
methyl (2S)-2-[(3R)-3-benzyl-5-oxopiperazin-1-yl]hexanoate
CID 57025518
tert-butyl 3,5-dibenzylpiperazine-1-carboxylate
CID 156757897
(4S)-4-benzyl-1-butylimidazolidin-2-one
CID 102070726
6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 137340358
(6S)-6-benzyl-4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperazin-2-one
CID 137335144
6-[(3S)-3-benzyl-5-oxopiperazine-1-carbonyl]-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 137337152
(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
CID 137337165

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one (CID 137335175) is (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one is CCC(C)(C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one?
The InChIKey is QMPIPTLUCSFENS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-17(2,3)16(21)19-11-14(18-15(20)12-19)10-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one?
(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one is sourced from PubChem (CID 137335175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).