ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate

C16H22N2O4 — CID 18083504

IUPACethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-2-22-16(21)12-5-7-13(8-6-12)17-15(20)11-18-9-3-4-14(19)10-18/h5-8,14,19H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyLDAMUPYUKBRHJT-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.26
Rot. Bonds5

About ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate

ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate (PubChem CID 18083504) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
PubChem CID18083504
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-2-22-16(21)12-5-7-13(8-6-12)17-15(20)11-18-9-3-4-14(19)10-18/h5-8,14,19H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyLDAMUPYUKBRHJT-UHFFFAOYSA-N
XLogP1.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
ethyl 4-[[2-[(2R)-2-propan-2-ylmorpholin-4-yl]acetyl]amino]benzoate
CID 97260580
ethyl 4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]benzoate
CID 171701426
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
ethyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 6467490
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
ethyl 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxylate
CID 4525369
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584521
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate (CID 18083504) is ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN2CCCC(O)C2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate?
The InChIKey is LDAMUPYUKBRHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-22-16(21)12-5-7-13(8-6-12)17-15(20)11-18-9-3-4-14(19)10-18/h5-8,14,19H,2-4,9-11H2,1H3,(H,17,20).
What are the key properties of ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 18083504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).