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

C16H29N3O3 — CID 16886757

IUPACN'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-22-11-8-17-15(20)16(21)18-12-13-6-9-19(10-7-13)14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyCSLYSRZEYUKYOD-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.52
Rot. Bonds6

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

N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide (PubChem CID 16886757) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide
PubChem CID16886757
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-22-11-8-17-15(20)16(21)18-12-13-6-9-19(10-7-13)14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyCSLYSRZEYUKYOD-UHFFFAOYSA-N
XLogP0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.52
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'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide (CID 16886757) is N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is CSLYSRZEYUKYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-22-11-8-17-15(20)16(21)18-12-13-6-9-19(10-7-13)14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide?
N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 311.43 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 16886757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).