1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide

C14H26N4O2 — CID 80590609

IUPAC1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(C)C2CCN(C)CC2)(C(N)=NO)C1
InChIInChI=1S/C14H26N4O2/c1-10-8-14(9-10,12(15)16-20)13(19)18(3)11-4-6-17(2)7-5-11/h10-11,20H,4-9H2,1-3H3,(H2,15,16)
InChIKeyJGBKXNOZVMEPNL-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.70
Rot. Bonds3

About 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 80590609) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
PubChem CID80590609
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(C)C2CCN(C)CC2)(C(N)=NO)C1
InChIInChI=1S/C14H26N4O2/c1-10-8-14(9-10,12(15)16-20)13(19)18(3)11-4-6-17(2)7-5-11/h10-11,20H,4-9H2,1-3H3,(H2,15,16)
InChIKeyJGBKXNOZVMEPNL-UHFFFAOYSA-N
XLogP0.70
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.70
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

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80597435
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039
N-cyclohexyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80591352
1-carbamothioyl-N-cyclopentyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80593126
1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 80588964
N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80596877
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 104871098
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597766
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80599261
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80597461
N-(1,1-dioxothiolan-3-yl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597376

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide (CID 80590609) is 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide is CC1CC(C(=O)N(C)C2CCN(C)CC2)(C(N)=NO)C1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is JGBKXNOZVMEPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-8-14(9-10,12(15)16-20)13(19)18(3)11-4-6-17(2)7-5-11/h10-11,20H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80590609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).