(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one

C11H13N3O2 — CID 135594368

IUPAC(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one
SMILESO=C1CN(Cc2ccccc2)C/C(=N/O)N1
InChIInChI=1S/C11H13N3O2/c15-11-8-14(7-10(12-11)13-16)6-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,12,13,15)
InChIKeyJWWTZPQXGCPMKN-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.41
Rot. Bonds2

About (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one

(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one (PubChem CID 135594368) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one.

Molecular Properties

Compound Name(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one
PubChem CID135594368
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one
SMILESO=C1CN(Cc2ccccc2)C/C(=N/O)N1
InChIInChI=1S/C11H13N3O2/c15-11-8-14(7-10(12-11)13-16)6-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,12,13,15)
InChIKeyJWWTZPQXGCPMKN-UHFFFAOYSA-N
XLogP0.41
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(5-benzyl-5-azaspiro[2.4]heptan-7-ylidene)hydroxylamine
CID 141340665
1-benzyl-N-oxidoazetidin-3-imine
CID 39843484
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
4-[[3-(aminomethyl)phenyl]methyl]piperazine-2,6-dione
CID 66082913
1-benzyl-1,3-diazetidine
CID 67702530
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
CID 130597226
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
4-[(2-aminophenyl)methyl]piperazine-2,6-dione
CID 66085238
(8Z)-6-benzyl-8-hydroxyimino-6-azaspiro[3.4]octan-5-one
CID 10681742

Frequently Asked Questions

What is the IUPAC name of (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one?
The IUPAC name of (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one (CID 135594368) is (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one.
What is the SMILES notation for (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one?
The canonical SMILES for (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one is O=C1CN(Cc2ccccc2)C/C(=N/O)N1.
What is the InChIKey of (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one?
The InChIKey is JWWTZPQXGCPMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-8-14(7-10(12-11)13-16)6-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,12,13,15).
What are the key properties of (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one?
(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one is sourced from PubChem (CID 135594368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).