N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide

C15H28N4O2 — CID 76925224

IUPACN'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCC(N2CCCCC2)CC1)C(N)=NO
InChIInChI=1S/C15H28N4O2/c1-2-13(14(16)17-21)15(20)19-10-6-12(7-11-19)18-8-4-3-5-9-18/h12-13,21H,2-11H2,1H3,(H2,16,17)
InChIKeyAVLMTFVTODOGRQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.24
Rot. Bonds4

About N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide

N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide (PubChem CID 76925224) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
PubChem CID76925224
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCC(N2CCCCC2)CC1)C(N)=NO
InChIInChI=1S/C15H28N4O2/c1-2-13(14(16)17-21)15(20)19-10-6-12(7-11-19)18-8-4-3-5-9-18/h12-13,21H,2-11H2,1H3,(H2,16,17)
InChIKeyAVLMTFVTODOGRQ-UHFFFAOYSA-N
XLogP1.24
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
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-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-N'-hydroxybutanimidamide
CID 76986616
N'-hydroxy-2-(4-methylazepane-1-carbonyl)butanimidamide
CID 77002393
N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 77073204
2-(3-piperidin-1-ylpyrrolidine-1-carbonyl)butanethioamide
CID 63514286
N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide
CID 76926596
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
CID 79925192
2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 76926378
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
CID 119035208
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
N'-hydroxy-4-piperidin-1-ylpiperidine-1-carboximidamide
CID 76944257
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 103497901

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide (CID 76925224) is N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide is CCC(C(=O)N1CCC(N2CCCCC2)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide?
The InChIKey is AVLMTFVTODOGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-13(14(16)17-21)15(20)19-10-6-12(7-11-19)18-8-4-3-5-9-18/h12-13,21H,2-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide?
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide has a molecular weight of 296.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide is sourced from PubChem (CID 76925224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).