ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate

C18H21NO4 — CID 112533706

IUPACethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1=O
InChIInChI=1S/C18H21NO4/c1-2-23-18(22)15-8-9-19(11-16(15)20)17(21)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9,11H2,1H3
InChIKeyCJYXYHLXZALOIB-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.77
Rot. Bonds3

About ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate

ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate (PubChem CID 112533706) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate
PubChem CID112533706
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1=O
InChIInChI=1S/C18H21NO4/c1-2-23-18(22)15-8-9-19(11-16(15)20)17(21)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9,11H2,1H3
InChIKeyCJYXYHLXZALOIB-UHFFFAOYSA-N
XLogP1.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate
CID 92950874
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
ethyl 1-acetyl-3-oxopiperidine-4-carboxylate;hydrochloride
CID 133056682
2,3-dihydro-1H-inden-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648165
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
CID 119520750
ethyl 3-oxo-1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 84579394
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
ethyl 1-[2-(4-bromophenyl)acetyl]-3-oxopiperidine-4-carboxylate
CID 112533688
methyl 1-benzoyl-3-oxopiperidine-4-carboxylate
CID 112535816
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 47031244

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate (CID 112533706) is ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1=O.
What is the InChIKey of ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate?
The InChIKey is CJYXYHLXZALOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-23-18(22)15-8-9-19(11-16(15)20)17(21)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,15H,2-5,8-9,11H2,1H3.
What are the key properties of ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate?
ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate is sourced from PubChem (CID 112533706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).