N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide

C18H33N3O3 — CID 16886702

IUPACN'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-24-13-12-21-10-8-15(9-11-21)14-19-17(22)18(23)20-16-6-4-2-3-5-7-16/h15-16H,2-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyZFALGFYONJFTGV-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.30
Rot. Bonds6

About N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide

N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886702) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886702
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-24-13-12-21-10-8-15(9-11-21)14-19-17(22)18(23)20-16-6-4-2-3-5-7-16/h15-16H,2-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyZFALGFYONJFTGV-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (CID 16886702) is N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is COCCN1CCC(CNC(=O)C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is ZFALGFYONJFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-24-13-12-21-10-8-15(9-11-21)14-19-17(22)18(23)20-16-6-4-2-3-5-7-16/h15-16H,2-14H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 339.48 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).