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

C20H23NO3S — CID 70736479

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3c(c2)CCC3)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H23NO3S/c22-19(23)20(24-18-5-4-16-2-1-3-17(16)12-18)7-9-21(10-8-20)13-15-6-11-25-14-15/h4-6,11-12,14H,1-3,7-10,13H2,(H,22,23)
InChIKeyWNGSVISGDRSNHT-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.73
Rot. Bonds5

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

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 70736479) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid
PubChem CID70736479
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3c(c2)CCC3)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H23NO3S/c22-19(23)20(24-18-5-4-16-2-1-3-17(16)12-18)7-9-21(10-8-20)13-15-6-11-25-14-15/h4-6,11-12,14H,1-3,7-10,13H2,(H,22,23)
InChIKeyWNGSVISGDRSNHT-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180941
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-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 70775931
1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 56919118
4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 66523324
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butane-1,4-dione
CID 35678899
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
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylacetic acid
CID 60948877
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
1-[(4-cyanophenyl)methyl]-4-phenoxypiperidine-4-carboxylic acid
CID 56892141

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid (CID 70736479) is 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1(Oc2ccc3c(c2)CCC3)CCN(Cc2ccsc2)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is WNGSVISGDRSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-19(23)20(24-18-5-4-16-2-1-3-17(16)12-18)7-9-21(10-8-20)13-15-6-11-25-14-15/h4-6,11-12,14H,1-3,7-10,13H2,(H,22,23).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 357.47 g/mol, XLogP of 3.73, 5 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-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70736479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).