N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide

C13H25N3O3 — CID 106837005

IUPACN'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1CCC(C(C)O)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-4-13(3,11(14)15-19)12(18)16-7-5-10(6-8-16)9(2)17/h9-10,17,19H,4-8H2,1-3H3,(H2,14,15)
InChIKeyOSGMIMABAHZEMD-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.77
Rot. Bonds4

About N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide

N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide (PubChem CID 106837005) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide
PubChem CID106837005
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide
SMILESCCC(C)(C(=O)N1CCC(C(C)O)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-4-13(3,11(14)15-19)12(18)16-7-5-10(6-8-16)9(2)17/h9-10,17,19H,4-8H2,1-3H3,(H2,14,15)
InChIKeyOSGMIMABAHZEMD-UHFFFAOYSA-N
XLogP0.77
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292678
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
3-[4-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanethioamide
CID 106835948
N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 114293066
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide
CID 76920901
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292493
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110022839
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292862
N'-hydroxy-2-methyl-2-(3-methylthiomorpholine-4-carbonyl)butanimidamide
CID 114293022

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide (CID 106837005) is N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide is CCC(C)(C(=O)N1CCC(C(C)O)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide?
The InChIKey is OSGMIMABAHZEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-13(3,11(14)15-19)12(18)16-7-5-10(6-8-16)9(2)17/h9-10,17,19H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide?
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide has a molecular weight of 271.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide is sourced from PubChem (CID 106837005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).