ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate

C15H26N4O4 — CID 47029520

IUPACethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C15H26N4O4/c1-4-23-14(22)18-10-8-17(9-11-18)6-5-7-19-12(20)15(2,3)16-13(19)21/h4-11H2,1-3H3,(H,16,21)
InChIKeyPZDNMSHGCLKDDU-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.48
Rot. Bonds5

About ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate

ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate (PubChem CID 47029520) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
PubChem CID47029520
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Nameethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C15H26N4O4/c1-4-23-14(22)18-10-8-17(9-11-18)6-5-7-19-12(20)15(2,3)16-13(19)21/h4-11H2,1-3H3,(H,16,21)
InChIKeyPZDNMSHGCLKDDU-UHFFFAOYSA-N
XLogP0.48
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.48
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-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
3-[3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 78898171
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63309791
ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate
CID 75427428
3-[3-(2,2-dimethylmorpholin-4-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 87016720
ethyl 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]acetate
CID 62012001
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119498732
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
ethyl 4-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]piperazine-1-carboxylate;dihydrochloride
CID 139786162

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate (CID 47029520) is ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1.
What is the InChIKey of ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate?
The InChIKey is PZDNMSHGCLKDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-4-23-14(22)18-10-8-17(9-11-18)6-5-7-19-12(20)15(2,3)16-13(19)21/h4-11H2,1-3H3,(H,16,21).
What are the key properties of ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate?
ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 47029520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).