ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate

C26H33N3O5 — CID 90879634

IUPACethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(C2CC(NC(=O)c3ccccc3)CN(C(O)N3CCOCC3)C2)cc1
InChIInChI=1S/C26H33N3O5/c1-2-34-25(31)21-10-8-19(9-11-21)22-16-23(27-24(30)20-6-4-3-5-7-20)18-29(17-22)26(32)28-12-14-33-15-13-28/h3-11,22-23,26,32H,2,12-18H2,1H3,(H,27,30)
InChIKeyYAEXBMBWFPQJFH-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.06
Rot. Bonds7

About ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate

ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate (PubChem CID 90879634) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate
PubChem CID90879634
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Nameethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(C2CC(NC(=O)c3ccccc3)CN(C(O)N3CCOCC3)C2)cc1
InChIInChI=1S/C26H33N3O5/c1-2-34-25(31)21-10-8-19(9-11-21)22-16-23(27-24(30)20-6-4-3-5-7-20)18-29(17-22)26(32)28-12-14-33-15-13-28/h3-11,22-23,26,32H,2,12-18H2,1H3,(H,27,30)
InChIKeyYAEXBMBWFPQJFH-UHFFFAOYSA-N
XLogP2.06
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
ethyl 4-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]benzoate
CID 7242064
CID 158970570
CID 158970570
N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide
CID 70854633
ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
CID 130248478
methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
CID 66761299
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
CID 2811007
N-(3-aminocyclobutyl)-4-morpholin-4-ylbenzamide
CID 146249126
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate?
The IUPAC name of ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate (CID 90879634) is ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate?
The canonical SMILES for ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate is CCOC(=O)c1ccc(C2CC(NC(=O)c3ccccc3)CN(C(O)N3CCOCC3)C2)cc1.
What is the InChIKey of ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate?
The InChIKey is YAEXBMBWFPQJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-2-34-25(31)21-10-8-19(9-11-21)22-16-23(27-24(30)20-6-4-3-5-7-20)18-29(17-22)26(32)28-12-14-33-15-13-28/h3-11,22-23,26,32H,2,12-18H2,1H3,(H,27,30).
What are the key properties of ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate?
ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate has a molecular weight of 467.57 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate is sourced from PubChem (CID 90879634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).