3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C20H38N2O2 — CID 26393308

IUPAC3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C[C@@H](C)CCC=C(C)C)CC1
InChIInChI=1S/C20H38N2O2/c1-17(2)6-5-7-18(3)16-22-13-10-19(11-14-22)8-9-20(23)21-12-15-24-4/h6,18-19H,5,7-16H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKeyYUPSMDLALAOUCX-SFHVURJKSA-N
MW338.54 g/mol
LogP3.62
Rot. Bonds11

About 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 26393308) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID26393308
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C[C@@H](C)CCC=C(C)C)CC1
InChIInChI=1S/C20H38N2O2/c1-17(2)6-5-7-18(3)16-22-13-10-19(11-14-22)8-9-20(23)21-12-15-24-4/h6,18-19H,5,7-16H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKeyYUPSMDLALAOUCX-SFHVURJKSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.62
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'}

Analyze 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 26393308) is 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(C[C@@H](C)CCC=C(C)C)CC1.
What is the InChIKey of 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is YUPSMDLALAOUCX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-17(2)6-5-7-18(3)16-22-13-10-19(11-14-22)8-9-20(23)21-12-15-24-4/h6,18-19H,5,7-16H2,1-4H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 338.54 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 26393308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).