3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C24H26N2O4 — CID 55514324

IUPAC3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c1
InChIInChI=1S/C24H26N2O4/c1-3-18-9-8-10-20(15-18)25-24(28)19-11-12-21(22(16-19)29-4-2)30-17-23(27)26-13-6-5-7-14-26/h1,8-12,15-16H,4-7,13-14,17H2,2H3,(H,25,28)
InChIKeyAYZDFZSTURNJQW-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.71
Rot. Bonds7

About 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 55514324) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID55514324
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c1
InChIInChI=1S/C24H26N2O4/c1-3-18-9-8-10-20(15-18)25-24(28)19-11-12-21(22(16-19)29-4-2)30-17-23(27)26-13-6-5-7-14-26/h1,8-12,15-16H,4-7,13-14,17H2,2H3,(H,25,28)
InChIKeyAYZDFZSTURNJQW-UHFFFAOYSA-N
XLogP3.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55674381
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55581962
N-(2-anilino-2-oxoethyl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46425050
3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55833726
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 55834639
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 55514324) is 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is C#Cc1cccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c1.
What is the InChIKey of 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is AYZDFZSTURNJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-18-9-8-10-20(15-18)25-24(28)19-11-12-21(22(16-19)29-4-2)30-17-23(27)26-13-6-5-7-14-26/h1,8-12,15-16H,4-7,13-14,17H2,2H3,(H,25,28).
What are the key properties of 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 55514324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).