N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

C14H27N3O3 — CID 16886587

IUPACN-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(2)17-7-4-12(5-8-17)10-16-14(19)13(18)15-6-9-20-3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyXQRJDDBGAJQDEC-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.01
Rot. Bonds6

About N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886587) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886587
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(2)17-7-4-12(5-8-17)10-16-14(19)13(18)15-6-9-20-3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyXQRJDDBGAJQDEC-UHFFFAOYSA-N
XLogP-0.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886587) is N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is COCCNC(=O)C(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is XQRJDDBGAJQDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)17-7-4-12(5-8-17)10-16-14(19)13(18)15-6-9-20-3/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 285.39 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).