4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid

C16H20N2O6 — CID 120528193

IUPAC4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H20N2O6/c19-13(11-24-12-4-2-1-3-5-12)17-10-14(20)18-8-6-16(23,7-9-18)15(21)22/h1-5,23H,6-11H2,(H,17,19)(H,21,22)
InChIKeyLVEZBKIWCGVSKY-UHFFFAOYSA-N
MW336.34 g/mol
LogP-0.38
Rot. Bonds6

About 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 120528193) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID120528193
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H20N2O6/c19-13(11-24-12-4-2-1-3-5-12)17-10-14(20)18-8-6-16(23,7-9-18)15(21)22/h1-5,23H,6-11H2,(H,17,19)(H,21,22)
InChIKeyLVEZBKIWCGVSKY-UHFFFAOYSA-N
XLogP-0.38
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide
CID 9226163
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 75448434
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250956
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7661767
N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 27755996
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid (CID 120528193) is 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid is O=C(COc1ccccc1)NCC(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is LVEZBKIWCGVSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c19-13(11-24-12-4-2-1-3-5-12)17-10-14(20)18-8-6-16(23,7-9-18)15(21)22/h1-5,23H,6-11H2,(H,17,19)(H,21,22).
What are the key properties of 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 336.34 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).