1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide

C13H22N4O3 — CID 80597477

IUPAC1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C13H22N4O3/c1-8-3-4-9(10(14)18)7-17(8)12(19)13(5-2-6-13)11(15)16-20/h8-9,20H,2-7H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyJOZDISUEHUNJOP-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.02
Rot. Bonds3

About 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide

1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide (PubChem CID 80597477) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide
PubChem CID80597477
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C13H22N4O3/c1-8-3-4-9(10(14)18)7-17(8)12(19)13(5-2-6-13)11(15)16-20/h8-9,20H,2-7H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyJOZDISUEHUNJOP-UHFFFAOYSA-N
XLogP0.02
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.02
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

1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 76921739
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 80597551
N'-hydroxy-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)cyclopropane-1-carboximidamide
CID 80594653
1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77020584
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510
1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 55039947
N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596778
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide (CID 80597477) is 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CCC1.
What is the InChIKey of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is JOZDISUEHUNJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-8-3-4-9(10(14)18)7-17(8)12(19)13(5-2-6-13)11(15)16-20/h8-9,20H,2-7H2,1H3,(H2,14,18)(H2,15,16).
What are the key properties of 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide?
1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 80597477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).