3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C27H31N3O5 — CID 45169169

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c1
InChIInChI=1S/C27H31N3O5/c1-27(25(32)30(26(33)28-27)21-12-17-6-4-5-7-18(17)13-21)20-8-10-29(11-9-20)24(31)19-14-22(34-2)16-23(15-19)35-3/h4-7,14-16,20-21H,8-13H2,1-3H3,(H,28,33)
InChIKeyDELQHSLGZBSXOU-UHFFFAOYSA-N
MW477.56 g/mol
LogP3.03
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 45169169) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID45169169
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c1
InChIInChI=1S/C27H31N3O5/c1-27(25(32)30(26(33)28-27)21-12-17-6-4-5-7-18(17)13-21)20-8-10-29(11-9-20)24(31)19-14-22(34-2)16-23(15-19)35-3/h4-7,14-16,20-21H,8-13H2,1-3H3,(H,28,33)
InChIKeyDELQHSLGZBSXOU-UHFFFAOYSA-N
XLogP3.03
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42382085
3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45172231
5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione
CID 45174056
3,5-dicyclopropyl-5-methylimidazolidine-2,4-dione
CID 64669282
3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085132
3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45174985
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119282011
1-(3,5-dimethoxybenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide
CID 55719853
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45249473

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 45169169) is 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1cc(OC)cc(C(=O)N2CCC(C3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DELQHSLGZBSXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-27(25(32)30(26(33)28-27)21-12-17-6-4-5-7-18(17)13-21)20-8-10-29(11-9-20)24(31)19-14-22(34-2)16-23(15-19)35-3/h4-7,14-16,20-21H,8-13H2,1-3H3,(H,28,33).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 477.56 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45169169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).