[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate

C21H24N2O4 — CID 7378841

IUPAC[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-19-11-5-16(6-12-19)21(25)27-15-20(24)22-17-7-9-18(10-8-17)23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyAHPOGEWRQPIESD-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.48
Rot. Bonds6

About [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate (PubChem CID 7378841) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
PubChem CID7378841
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-19-11-5-16(6-12-19)21(25)27-15-20(24)22-17-7-9-18(10-8-17)23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyAHPOGEWRQPIESD-UHFFFAOYSA-N
XLogP3.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.48
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

[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845504
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203566
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-cyanobenzoate
CID 2334927
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9483570
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-fluoro-4-methylbenzoate
CID 40678642
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate
CID 7665105
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9483561
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-hydroxybenzoate
CID 7378641
2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7579194
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
[2-(4-methoxyanilino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 7784558
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate (CID 7378841) is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate?
The InChIKey is AHPOGEWRQPIESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-19-11-5-16(6-12-19)21(25)27-15-20(24)22-17-7-9-18(10-8-17)23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate?
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate has a molecular weight of 368.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate is sourced from PubChem (CID 7378841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).