3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C17H28N2O3 — CID 25459606

IUPAC3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)C2=CCCC2)CC1
InChIInChI=1S/C17H28N2O3/c1-22-13-10-18-16(20)7-6-14-8-11-19(12-9-14)17(21)15-4-2-3-5-15/h4,14H,2-3,5-13H2,1H3,(H,18,20)
InChIKeyAJGHANSMIPXODE-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.88
Rot. Bonds7

About 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 25459606) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID25459606
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)C2=CCCC2)CC1
InChIInChI=1S/C17H28N2O3/c1-22-13-10-18-16(20)7-6-14-8-11-19(12-9-14)17(21)15-4-2-3-5-15/h4,14H,2-3,5-13H2,1H3,(H,18,20)
InChIKeyAJGHANSMIPXODE-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 25459606) is 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(C(=O)C2=CCCC2)CC1.
What is the InChIKey of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is AJGHANSMIPXODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-22-13-10-18-16(20)7-6-14-8-11-19(12-9-14)17(21)15-4-2-3-5-15/h4,14H,2-3,5-13H2,1H3,(H,18,20).
What are the key properties of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 308.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 25459606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).