4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione

C16H18N2O3 — CID 106893244

IUPAC4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3/c1-2-13-15(20)17-14(19)9-18(13)16(21)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-13H,2,7-9H2,1H3,(H,17,19,20)
InChIKeyITODRRHYZBQIQX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.67
Rot. Bonds2

About 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione

4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 106893244) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID106893244
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3/c1-2-13-15(20)17-14(19)9-18(13)16(21)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-13H,2,7-9H2,1H3,(H,17,19,20)
InChIKeyITODRRHYZBQIQX-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazine-2,6-dione
CID 107127198
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
3-ethyl-4-[(3S)-piperidine-3-carbonyl]piperazine-2,6-dione
CID 81134425
4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
CID 79026795
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479
3-ethyl-4-[3-(2-hydroxyphenyl)propanoyl]piperazine-2,6-dione
CID 66069081
4-(2-benzylsulfanylacetyl)-3-ethylpiperazine-2,6-dione
CID 66068319
4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione
CID 66069345
2-ethyl-3,5-dioxo-N-phenylpiperazine-1-carbothioamide
CID 116509235
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione (CID 106893244) is 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)C1Cc2ccccc2C1.
What is the InChIKey of 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is ITODRRHYZBQIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-13-15(20)17-14(19)9-18(13)16(21)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-13H,2,7-9H2,1H3,(H,17,19,20).
What are the key properties of 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 286.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 106893244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).