tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate

C20H26N4O5 — CID 124854382

IUPACtert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)23-11-9-22(10-12-23)16(25)13-15-17(26)24(18(27)21-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,27)/t15-/m1/s1
InChIKeyXDIFFPXYVLLDGS-OAHLLOKOSA-N
MW402.45 g/mol
LogP1.58
Rot. Bonds3

About tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate (PubChem CID 124854382) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
PubChem CID124854382
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Nametert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)23-11-9-22(10-12-23)16(25)13-15-17(26)24(18(27)21-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,27)/t15-/m1/s1
InChIKeyXDIFFPXYVLLDGS-OAHLLOKOSA-N
XLogP1.58
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.58
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

ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
(5R)-5-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
CID 95137890
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxylate
CID 99646556
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 56814098
(5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione
CID 110204863
tert-butyl 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]piperazine-1-carboxylate
CID 168516136
tert-butyl 4-(5-phenylpentanoyl)piperazine-1-carboxylate
CID 110312066
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate (CID 124854382) is tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is XDIFFPXYVLLDGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)23-11-9-22(10-12-23)16(25)13-15-17(26)24(18(27)21-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,27)/t15-/m1/s1.
What are the key properties of tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 124854382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).