2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide

C28H31N3O3 — CID 3220910

IUPAC2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3O3/c1-2-34-26-16-10-9-15-25(26)28(33)29-22-17-19-30(20-18-22)21-27(32)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,22H,2,17-21H2,1H3,(H,29,33)
InChIKeyDRUCGPQNBMNHPN-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.64
Rot. Bonds8

About 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide

2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide (PubChem CID 3220910) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide
PubChem CID3220910
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3O3/c1-2-34-26-16-10-9-15-25(26)28(33)29-22-17-19-30(20-18-22)21-27(32)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,22H,2,17-21H2,1H3,(H,29,33)
InChIKeyDRUCGPQNBMNHPN-UHFFFAOYSA-N
XLogP4.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747
2-(2-ethoxyphenoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389301
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528472

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide (CID 3220910) is 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is DRUCGPQNBMNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-2-34-26-16-10-9-15-25(26)28(33)29-22-17-19-30(20-18-22)21-27(32)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,22H,2,17-21H2,1H3,(H,29,33).
What are the key properties of 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide?
2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 3220910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).