1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate

C24H27N3O4 — CID 54332150

IUPAC1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate
SMILESCC(OC(=O)CN1CCCCC1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H27N3O4/c1-18(31-21(28)17-26-15-9-4-10-16-26)27-22(29)24(25-23(27)30,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18H,4,9-10,15-17H2,1H3,(H,25,30)
InChIKeySZCDYQSKQKYDEY-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.86
Rot. Bonds6

About 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate

1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate (PubChem CID 54332150) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate
PubChem CID54332150
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate
SMILESCC(OC(=O)CN1CCCCC1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C24H27N3O4/c1-18(31-21(28)17-26-15-9-4-10-16-26)27-22(29)24(25-23(27)30,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18H,4,9-10,15-17H2,1H3,(H,25,30)
InChIKeySZCDYQSKQKYDEY-UHFFFAOYSA-N
XLogP2.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.86
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

propan-2-yl 2-piperidin-1-ylacetate
CID 44791468
3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2493473
(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide
CID 2104262
3-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2093881
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one
CID 145461171
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 25363672
3-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2161847
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate?
The IUPAC name of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate (CID 54332150) is 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate?
The canonical SMILES for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate is CC(OC(=O)CN1CCCCC1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate?
The InChIKey is SZCDYQSKQKYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-18(31-21(28)17-26-15-9-4-10-16-26)27-22(29)24(25-23(27)30,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18H,4,9-10,15-17H2,1H3,(H,25,30).
What are the key properties of 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate?
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate has a molecular weight of 421.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 54332150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).