4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one

C17H26N2O — CID 167436677

IUPAC4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
SMILESCC(C)(C)CCN1CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C17H26N2O/c1-17(2,3)9-10-19-12-11-18(14-16(19)20)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyWQEVWHWTPOCIKZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds4

About 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one

4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one (PubChem CID 167436677) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one.

Molecular Properties

Compound Name4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
PubChem CID167436677
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
SMILESCC(C)(C)CCN1CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C17H26N2O/c1-17(2,3)9-10-19-12-11-18(14-16(19)20)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyWQEVWHWTPOCIKZ-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
CID 154575642
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 64693242
1-benzyl-4-tert-butylpiperazine
CID 3591937
4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one
CID 120853340
1-benzylpiperidin-3-one;hydrate
CID 144851326

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one?
The IUPAC name of 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one (CID 167436677) is 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one.
What is the SMILES notation for 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one?
The canonical SMILES for 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one is CC(C)(C)CCN1CCN(Cc2ccccc2)CC1=O.
What is the InChIKey of 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one?
The InChIKey is WQEVWHWTPOCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)9-10-19-12-11-18(14-16(19)20)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one?
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one is sourced from PubChem (CID 167436677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).