1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide

C12H20N4O3 — CID 80596930

IUPAC1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2(C(N)=NO)CC2)CC1
InChIInChI=1S/C12H20N4O3/c1-14-9(17)8-2-6-16(7-3-8)11(18)12(4-5-12)10(13)15-19/h8,19H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyMEINBSXXJWNUEK-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.50
Rot. Bonds3

About 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide

1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 80596930) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID80596930
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2(C(N)=NO)CC2)CC1
InChIInChI=1S/C12H20N4O3/c1-14-9(17)8-2-6-16(7-3-8)11(18)12(4-5-12)10(13)15-19/h8,19H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyMEINBSXXJWNUEK-UHFFFAOYSA-N
XLogP-0.50
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.50
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-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 80590062
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 102736850
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide
CID 80594303
N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 80596829
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 112747224

Frequently Asked Questions

What is the IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide (CID 80596930) is 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C2(C(N)=NO)CC2)CC1.
What is the InChIKey of 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is MEINBSXXJWNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14-9(17)8-2-6-16(7-3-8)11(18)12(4-5-12)10(13)15-19/h8,19H,2-7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide?
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.50, 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)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 80596930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).