2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide

C17H25N5O — CID 91451924

IUPAC2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide
SMILES[H]/N=C/N=C(\N)C(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C17H25N5O/c1-17(2,3)13-6-4-5-7-14(13)21-8-10-22(11-9-21)16(23)15(19)20-12-18/h4-7,12H,8-11H2,1-3H3,(H3,18,19,20)
InChIKeyIQNOMNPKOQDYLQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.60
Rot. Bonds2

About 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide

2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide (PubChem CID 91451924) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide.

Molecular Properties

Compound Name2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide
PubChem CID91451924
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide
SMILES[H]/N=C/N=C(\N)C(=O)N1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C17H25N5O/c1-17(2,3)13-6-4-5-7-14(13)21-8-10-22(11-9-21)16(23)15(19)20-12-18/h4-7,12H,8-11H2,1-3H3,(H3,18,19,20)
InChIKeyIQNOMNPKOQDYLQ-UHFFFAOYSA-N
XLogP1.60
TPSA85.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 91049311
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
CID 46931248
N-benzyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 66751325
3-[4-(2-tert-butylphenyl)piperazine-1-carbonyl]adamantane-1-carboxylic acid
CID 66792713
N-tert-butyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-piperidin-4-ylacetamide
CID 66792694
[4-[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoethyl]-2,6-dioxopiperidin-1-yl] acetate
CID 87135051
4-[2-[[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]ethyl]benzoic acid
CID 66792743

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide?
The IUPAC name of 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide (CID 91451924) is 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide.
What is the SMILES notation for 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide?
The canonical SMILES for 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide is [H]/N=C/N=C(\N)C(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide?
The InChIKey is IQNOMNPKOQDYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(2,3)13-6-4-5-7-14(13)21-8-10-22(11-9-21)16(23)15(19)20-12-18/h4-7,12H,8-11H2,1-3H3,(H3,18,19,20).
What are the key properties of 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide?
2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide has a molecular weight of 315.42 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butylphenyl)piperazin-1-yl]-N'-methanimidoyl-2-oxoethanimidamide is sourced from PubChem (CID 91451924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).