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

C20H21NO5 — CID 70758455

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccoc1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C20H21NO5/c22-18(16-6-11-25-13-16)21-9-7-20(8-10-21,19(23)24)26-17-5-4-14-2-1-3-15(14)12-17/h4-6,11-13H,1-3,7-10H2,(H,23,24)
InChIKeyCFTJZSJJABIUGS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.91
Rot. Bonds4

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

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 70758455) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID70758455
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccoc1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C20H21NO5/c22-18(16-6-11-25-13-16)21-9-7-20(8-10-21,19(23)24)26-17-5-4-14-2-1-3-15(14)12-17/h4-6,11-13H,1-3,7-10H2,(H,23,24)
InChIKeyCFTJZSJJABIUGS-UHFFFAOYSA-N
XLogP2.91
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid
CID 56908037
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-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 70748832
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 66523324
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 38496850
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32532401
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid
CID 70736479
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(furan-3-yl)methanone
CID 56819357
4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 70775931
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38211664

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (CID 70758455) is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid is O=C(c1ccoc1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is CFTJZSJJABIUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-18(16-6-11-25-13-16)21-9-7-20(8-10-21,19(23)24)26-17-5-4-14-2-1-3-15(14)12-17/h4-6,11-13H,1-3,7-10H2,(H,23,24).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.91, 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-(furan-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70758455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).