[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate

C18H26N2O4 — CID 18286188

IUPAC[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate
SMILESCCOCC(=O)OC(C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-3-23-13-17(21)24-14(2)18(22)19-15-7-9-16(10-8-15)20-11-5-4-6-12-20/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,22)
InChIKeyHWVNRBKRYGCXSM-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.58
Rot. Bonds7

About [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate

[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate (PubChem CID 18286188) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate.

Molecular Properties

Compound Name[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate
PubChem CID18286188
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate
SMILESCCOCC(=O)OC(C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-3-23-13-17(21)24-14(2)18(22)19-15-7-9-16(10-8-15)20-11-5-4-6-12-20/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,22)
InChIKeyHWVNRBKRYGCXSM-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 94033094
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7649771
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-ethoxyacetate
CID 8709363
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949863
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxybenzoate
CID 8606888
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783760
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
CID 8709124
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 42899701
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7781384
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 [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate?
The IUPAC name of [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate (CID 18286188) is [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate.
What is the SMILES notation for [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate?
The canonical SMILES for [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate is CCOCC(=O)OC(C)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate?
The InChIKey is HWVNRBKRYGCXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-23-13-17(21)24-14(2)18(22)19-15-7-9-16(10-8-15)20-11-5-4-6-12-20/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,22).
What are the key properties of [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate?
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate has a molecular weight of 334.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate is sourced from PubChem (CID 18286188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).