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

C20H25NO5 — CID 70748832

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCCO1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C20H25NO5/c22-18(17-5-2-12-25-17)21-10-8-20(9-11-21,19(23)24)26-16-7-6-14-3-1-4-15(14)13-16/h6-7,13,17H,1-5,8-12H2,(H,23,24)
InChIKeyAEAOYDVLFWPPAO-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.18
Rot. Bonds4

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

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 70748832) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID70748832
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCCO1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C20H25NO5/c22-18(17-5-2-12-25-17)21-10-8-20(9-11-21,19(23)24)26-16-7-6-14-3-1-4-15(14)13-16/h6-7,13,17H,1-5,8-12H2,(H,23,24)
InChIKeyAEAOYDVLFWPPAO-UHFFFAOYSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)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-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 56885496
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid
CID 56908037
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 70758455
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 51176792
4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 66523324
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
6-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735613
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid (CID 70748832) is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid is O=C(C1CCCO1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is AEAOYDVLFWPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c22-18(17-5-2-12-25-17)21-10-8-20(9-11-21,19(23)24)26-16-7-6-14-3-1-4-15(14)13-16/h6-7,13,17H,1-5,8-12H2,(H,23,24).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 359.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 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-(oxolane-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70748832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).