2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide

C22H34N2O4 — CID 159309501

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide
SMILESCOCCOCCOCCC(C(N)=O)=C(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H34N2O4/c1-18(19-6-8-20(9-7-19)24-11-4-3-5-12-24)21(22(23)25)10-13-27-16-17-28-15-14-26-2/h6-9H,3-5,10-17H2,1-2H3,(H2,23,25)
InChIKeyLCIWPQQCLRWPIL-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.01
Rot. Bonds12

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide (PubChem CID 159309501) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide
PubChem CID159309501
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide
SMILESCOCCOCCOCCC(C(N)=O)=C(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H34N2O4/c1-18(19-6-8-20(9-7-19)24-11-4-3-5-12-24)21(22(23)25)10-13-27-16-17-28-15-14-26-2/h6-9H,3-5,10-17H2,1-2H3,(H2,23,25)
InChIKeyLCIWPQQCLRWPIL-UHFFFAOYSA-N
XLogP3.01
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
CID 69086607
2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
CID 58283308
(E)-1-cyano-N-(2-methoxyethyl)-2-(4-piperidin-1-ylphenyl)prop-1-ene-1-sulfonamide
CID 122682604
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
methyl 4-[[3-oxo-3-(4-piperidin-1-ylanilino)propyl]amino]benzoate
CID 109041517
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
ethyl 2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 58229031
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
amino 4-pyrrolidin-1-ylbenzoate
CID 23055620
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide (CID 159309501) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide is COCCOCCOCCC(C(N)=O)=C(C)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide?
The InChIKey is LCIWPQQCLRWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-18(19-6-8-20(9-7-19)24-11-4-3-5-12-24)21(22(23)25)10-13-27-16-17-28-15-14-26-2/h6-9H,3-5,10-17H2,1-2H3,(H2,23,25).
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide has a molecular weight of 390.52 g/mol, XLogP of 3.01, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide is sourced from PubChem (CID 159309501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).