(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide

C18H28N2O3 — CID 94033094

IUPAC(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCOCCO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-22-13-14-23-15(2)18(21)19-16-7-9-17(10-8-16)20-11-5-4-6-12-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyHWDREZUDXICIER-HNNXBMFYSA-N
MW320.43 g/mol
LogP3.06
Rot. Bonds8

About (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide

(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 94033094) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID94033094
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCOCCO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-22-13-14-23-15(2)18(21)19-16-7-9-17(10-8-16)20-11-5-4-6-12-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyHWDREZUDXICIER-HNNXBMFYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate
CID 18286188
N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
CID 55649917
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 47078303
(2S)-2-(2-ethoxyethoxy)-N-(4-imidazol-1-ylphenyl)propanamide
CID 94678339
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
CID 62856119
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide (CID 94033094) is (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide is CCOCCO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is HWDREZUDXICIER-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-22-13-14-23-15(2)18(21)19-16-7-9-17(10-8-16)20-11-5-4-6-12-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 94033094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).