N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide

C12H22N4O2 — CID 79156002

IUPACN'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H22N4O2/c13-11(14-18)10-5-4-8-16(9-10)12(17)15-6-2-1-3-7-15/h10,18H,1-9H2,(H2,13,14)
InChIKeyUHJBRAVQWKLJAQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.05
Rot. Bonds1

About N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide

N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide (PubChem CID 79156002) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
PubChem CID79156002
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)N2CCCCC2)C1
InChIInChI=1S/C12H22N4O2/c13-11(14-18)10-5-4-8-16(9-10)12(17)15-6-2-1-3-7-15/h10,18H,1-9H2,(H2,13,14)
InChIKeyUHJBRAVQWKLJAQ-UHFFFAOYSA-N
XLogP1.05
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.05
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
CID 104928900
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041256
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
CID 77041531
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
3-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113463057
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
1-(3-ethoxypropanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041945
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041584
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide (CID 79156002) is N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)N2CCCCC2)C1.
What is the InChIKey of N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide?
The InChIKey is UHJBRAVQWKLJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c13-11(14-18)10-5-4-8-16(9-10)12(17)15-6-2-1-3-7-15/h10,18H,1-9H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide has a molecular weight of 254.33 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide is sourced from PubChem (CID 79156002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).