N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide

C14H28N4O3 — CID 77033006

IUPACN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCN(CC(C)(C)O)CC1)C(N)=NO
InChIInChI=1S/C14H28N4O3/c1-10(2)11(12(15)16-21)13(19)18-7-5-17(6-8-18)9-14(3,4)20/h10-11,20-21H,5-9H2,1-4H3,(H2,15,16)
InChIKeyGSLNAUQYOVQEEW-UHFFFAOYSA-N
MW300.40 g/mol
LogP-0.08
Rot. Bonds5

About N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide

N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide (PubChem CID 77033006) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide
PubChem CID77033006
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CCN(CC(C)(C)O)CC1)C(N)=NO
InChIInChI=1S/C14H28N4O3/c1-10(2)11(12(15)16-21)13(19)18-7-5-17(6-8-18)9-14(3,4)20/h10-11,20-21H,5-9H2,1-4H3,(H2,15,16)
InChIKeyGSLNAUQYOVQEEW-UHFFFAOYSA-N
XLogP-0.08
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107030633
2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76925389
N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide
CID 76926516
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
CID 77032995
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76981094
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780
2-(4-tert-butylazepane-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 77024794
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
CID 76926862
N'-hydroxy-3-methyl-2-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)butanimidamide
CID 77037194
N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide
CID 104881892
N'-hydroxy-2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 77048400
N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide
CID 79170206

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide (CID 77033006) is N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide is CC(C)C(C(=O)N1CCN(CC(C)(C)O)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide?
The InChIKey is GSLNAUQYOVQEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-10(2)11(12(15)16-21)13(19)18-7-5-17(6-8-18)9-14(3,4)20/h10-11,20-21H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide?
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide has a molecular weight of 300.40 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide is sourced from PubChem (CID 77033006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).