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

C18H30N2O3 — CID 45235465

IUPAC3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H30N2O3/c1-23-14-11-19-17(21)8-7-15-9-12-20(13-10-15)18(22)16-5-3-2-4-6-16/h2-3,15-16H,4-14H2,1H3,(H,19,21)
InChIKeyWONSRRXNJAQUNL-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.12
Rot. Bonds7

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

3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 45235465) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID45235465
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H30N2O3/c1-23-14-11-19-17(21)8-7-15-9-12-20(13-10-15)18(22)16-5-3-2-4-6-16/h2-3,15-16H,4-14H2,1H3,(H,19,21)
InChIKeyWONSRRXNJAQUNL-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 45235465) is 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is WONSRRXNJAQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-23-14-11-19-17(21)8-7-15-9-12-20(13-10-15)18(22)16-5-3-2-4-6-16/h2-3,15-16H,4-14H2,1H3,(H,19,21).
What are the key properties of 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 45235465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).