N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide

C11H22N4O2 — CID 79162286

IUPACN,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C11H22N4O2/c1-3-14(4-2)11(16)15-7-5-6-9(8-15)10(12)13-17/h9,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKFJCUDMOWYDRDR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.91
Rot. Bonds3

About N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide

N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide (PubChem CID 79162286) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
PubChem CID79162286
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C11H22N4O2/c1-3-14(4-2)11(16)15-7-5-6-9(8-15)10(12)13-17/h9,17H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKFJCUDMOWYDRDR-UHFFFAOYSA-N
XLogP0.91
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.91
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-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041256
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
CID 79156002
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159462
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
1-(3-ethoxypropanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041945
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
CID 104928900
N,N-diethyl-3-sulfamoylpiperidine-1-carboxamide
CID 79162189
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
(3S)-1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126397

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide (CID 79162286) is N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide is CCN(CC)C(=O)N1CCCC(C(N)=NO)C1.
What is the InChIKey of N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
The InChIKey is KFJCUDMOWYDRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-14(4-2)11(16)15-7-5-6-9(8-15)10(12)13-17/h9,17H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide?
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide is sourced from PubChem (CID 79162286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).