4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid

C17H21NO5 — CID 56908037

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid
SMILESO=C(CO)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C17H21NO5/c19-11-15(20)18-8-6-17(7-9-18,16(21)22)23-14-5-4-12-2-1-3-13(12)10-14/h4-5,10,19H,1-3,6-9,11H2,(H,21,22)
InChIKeyMZHQMHXHJHUOEB-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.99
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid (PubChem CID 56908037) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid
PubChem CID56908037
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid
SMILESO=C(CO)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C17H21NO5/c19-11-15(20)18-8-6-17(7-9-18,16(21)22)23-14-5-4-12-2-1-3-13(12)10-14/h4-5,10,19H,1-3,6-9,11H2,(H,21,22)
InChIKeyMZHQMHXHJHUOEB-UHFFFAOYSA-N
XLogP0.99
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid 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-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 56919118
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 70758455
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 70748832
4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 66523324
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid
CID 70736479
4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 70775931
1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251957
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
1-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-2-[1-(hydroxymethyl)cyclobutyl]ethanone
CID 167783785
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid
CID 56901005
1-(4-benzoylpiperidin-1-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 26079809

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid (CID 56908037) is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid is O=C(CO)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid?
The InChIKey is MZHQMHXHJHUOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c19-11-15(20)18-8-6-17(7-9-18,16(21)22)23-14-5-4-12-2-1-3-13(12)10-14/h4-5,10,19H,1-3,6-9,11H2,(H,21,22).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56908037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).