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

C17H31N3O3 — CID 16886671

IUPACN'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-23-12-11-20-9-7-14(8-10-20)13-18-16(21)17(22)19-15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyCJQWWRAGRQOKFR-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.91
Rot. Bonds6

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

N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886671) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886671
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-23-12-11-20-9-7-14(8-10-20)13-18-16(21)17(22)19-15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyCJQWWRAGRQOKFR-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.91
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'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (CID 16886671) is N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is COCCN1CCC(CNC(=O)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is CJQWWRAGRQOKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-23-12-11-20-9-7-14(8-10-20)13-18-16(21)17(22)19-15-5-3-2-4-6-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 325.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).