ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate

C21H25N3O4 — CID 23071766

IUPACethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-3-28-19(25)16-5-4-6-17(13-16)23-20(26)24-11-9-21(27,10-12-24)18-8-7-15(2)14-22-18/h4-8,13-14,27H,3,9-12H2,1-2H3,(H,23,26)
InChIKeySATYLFYVPNLLAG-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.08
Rot. Bonds4

About ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate

ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate (PubChem CID 23071766) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate
PubChem CID23071766
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-3-28-19(25)16-5-4-6-17(13-16)23-20(26)24-11-9-21(27,10-12-24)18-8-7-15(2)14-22-18/h4-8,13-14,27H,3,9-12H2,1-2H3,(H,23,26)
InChIKeySATYLFYVPNLLAG-UHFFFAOYSA-N
XLogP3.08
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]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

1-[(3-ethoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076129
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
ethyl 3-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 6625829
ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 118016643
ethyl 3-acetamidobenzoate
CID 700589
ethane;ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 144829105
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
ethyl 3-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]propanoylamino]benzoate
CID 53057988
ethyl 3-[(1-morpholin-4-ylisoquinoline-4-carbonyl)amino]benzoate
CID 46360319
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate (CID 23071766) is ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1.
What is the InChIKey of ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate?
The InChIKey is SATYLFYVPNLLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-28-19(25)16-5-4-6-17(13-16)23-20(26)24-11-9-21(27,10-12-24)18-8-7-15(2)14-22-18/h4-8,13-14,27H,3,9-12H2,1-2H3,(H,23,26).
What are the key properties of ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate?
ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate has a molecular weight of 383.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 23071766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).