4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid

C20H26N2O6 — CID 120528073

IUPAC4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(COc1ccccc1)N1CCCC(C(=O)N2CCC(O)(C(=O)O)CC2)C1
InChIInChI=1S/C20H26N2O6/c23-17(14-28-16-6-2-1-3-7-16)22-10-4-5-15(13-22)18(24)21-11-8-20(27,9-12-21)19(25)26/h1-3,6-7,15,27H,4-5,8-14H2,(H,25,26)
InChIKeyFXRZTUWTJGIBSQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP0.74
Rot. Bonds5

About 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid

4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid (PubChem CID 120528073) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid
PubChem CID120528073
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(COc1ccccc1)N1CCCC(C(=O)N2CCC(O)(C(=O)O)CC2)C1
InChIInChI=1S/C20H26N2O6/c23-17(14-28-16-6-2-1-3-7-16)22-10-4-5-15(13-22)18(24)21-11-8-20(27,9-12-21)19(25)26/h1-3,6-7,15,27H,4-5,8-14H2,(H,25,26)
InChIKeyFXRZTUWTJGIBSQ-UHFFFAOYSA-N
XLogP0.74
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529097
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119510299

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid (CID 120528073) is 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid is O=C(COc1ccccc1)N1CCCC(C(=O)N2CCC(O)(C(=O)O)CC2)C1.
What is the InChIKey of 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is FXRZTUWTJGIBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c23-17(14-28-16-6-2-1-3-7-16)22-10-4-5-15(13-22)18(24)21-11-8-20(27,9-12-21)19(25)26/h1-3,6-7,15,27H,4-5,8-14H2,(H,25,26).
What are the key properties of 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).