2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione

C20H22N2O4 — CID 2025294

IUPAC2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
SMILESCC(=C1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C20H22N2O4/c1-13(17-18(23)14-5-2-3-6-15(14)19(17)24)21-8-10-22(11-9-21)20(25)16-7-4-12-26-16/h2-3,5-6,16H,4,7-12H2,1H3/t16-/m1/s1
InChIKeyXLDOHYVJBHGTFG-MRXNPFEDSA-N
MW354.41 g/mol
LogP1.66
Rot. Bonds2

About 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione

2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione (PubChem CID 2025294) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
PubChem CID2025294
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
SMILESCC(=C1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C20H22N2O4/c1-13(17-18(23)14-5-2-3-6-15(14)19(17)24)21-8-10-22(11-9-21)20(25)16-7-4-12-26-16/h2-3,5-6,16H,4,7-12H2,1H3/t16-/m1/s1
InChIKeyXLDOHYVJBHGTFG-MRXNPFEDSA-N
XLogP1.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
2-[2-hydroxy-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 47021559
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
2-anilino-2-methyl-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 134713612
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86914120
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione?
The IUPAC name of 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione (CID 2025294) is 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione.
What is the SMILES notation for 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione?
The canonical SMILES for 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione is CC(=C1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione?
The InChIKey is XLDOHYVJBHGTFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(17-18(23)14-5-2-3-6-15(14)19(17)24)21-8-10-22(11-9-21)20(25)16-7-4-12-26-16/h2-3,5-6,16H,4,7-12H2,1H3/t16-/m1/s1.
What are the key properties of 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione?
2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione has a molecular weight of 354.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione is sourced from PubChem (CID 2025294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).