ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate

C19H25NO4 — CID 51969368

IUPACethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H25NO4/c1-2-23-19(22)16-7-4-10-20(12-16)18(21)13-24-17-9-8-14-5-3-6-15(14)11-17/h8-9,11,16H,2-7,10,12-13H2,1H3/t16-/m1/s1
InChIKeyQRDKJDYBGUTSEV-MRXNPFEDSA-N
MW331.41 g/mol
LogP2.36
Rot. Bonds5

About ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate (PubChem CID 51969368) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
PubChem CID51969368
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nameethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H25NO4/c1-2-23-19(22)16-7-4-10-20(12-16)18(21)13-24-17-9-8-14-5-3-6-15(14)11-17/h8-9,11,16H,2-7,10,12-13H2,1H3/t16-/m1/s1
InChIKeyQRDKJDYBGUTSEV-MRXNPFEDSA-N
XLogP2.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
ethyl (3S)-1-[2-(2,4-dimethylphenoxy)acetyl]piperidine-3-carboxylate
CID 51969349
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
3-[(3S)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-3-yl]propanoic acid
CID 124700452
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746603
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
(3S)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 81120930

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate (CID 51969368) is ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1.
What is the InChIKey of ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate?
The InChIKey is QRDKJDYBGUTSEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO4/c1-2-23-19(22)16-7-4-10-20(12-16)18(21)13-24-17-9-8-14-5-3-6-15(14)11-17/h8-9,11,16H,2-7,10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 51969368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).