[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C21H27N3O5 — CID 7709979

IUPAC[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)N3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C21H27N3O5/c1-14-7-9-16(10-8-14)21(3)19(27)24(20(28)22-21)12-18(26)29-13-17(25)23-11-5-4-6-15(23)2/h7-10,15H,4-6,11-13H2,1-3H3,(H,22,28)/t15-,21-/m1/s1
InChIKeyKIPKQAPYXDGBFB-QVKFZJNVSA-N
MW401.46 g/mol
LogP1.71
Rot. Bonds5

About [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7709979) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7709979
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)N3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C21H27N3O5/c1-14-7-9-16(10-8-14)21(3)19(27)24(20(28)22-21)12-18(26)29-13-17(25)23-11-5-4-6-15(23)2/h7-10,15H,4-6,11-13H2,1-3H3,(H,22,28)/t15-,21-/m1/s1
InChIKeyKIPKQAPYXDGBFB-QVKFZJNVSA-N
XLogP1.71
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.71
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

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710954
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708962
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708959
cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97005692
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
(2-oxo-2-piperidin-1-ylethyl) 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709372
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710989
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710156
(5R)-5-(3-bromophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2701973
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 7709979) is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)N3CCCC[C@H]3C)C2=O)cc1.
What is the InChIKey of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is KIPKQAPYXDGBFB-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-14-7-9-16(10-8-14)21(3)19(27)24(20(28)22-21)12-18(26)29-13-17(25)23-11-5-4-6-15(23)2/h7-10,15H,4-6,11-13H2,1-3H3,(H,22,28)/t15-,21-/m1/s1.
What are the key properties of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 401.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7709979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).