ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate

C15H25N3O4 — CID 94060911

IUPACethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H25N3O4/c1-4-22-12(19)11-7-5-6-8-17(11)9-10-18-13(20)15(2,3)16-14(18)21/h11H,4-10H2,1-3H3,(H,16,21)/t11-/m0/s1
InChIKeyHBYASDYWBJRVFL-NSHDSACASA-N
MW311.38 g/mol
LogP0.73
Rot. Bonds5

About ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate

ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate (PubChem CID 94060911) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate
PubChem CID94060911
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C15H25N3O4/c1-4-22-12(19)11-7-5-6-8-17(11)9-10-18-13(20)15(2,3)16-14(18)21/h11H,4-10H2,1-3H3,(H,16,21)/t11-/m0/s1
InChIKeyHBYASDYWBJRVFL-NSHDSACASA-N
XLogP0.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.73
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

2,4-Dioxo-1,3-diazaspiro(4.5)decane-3-acetic acid ethyl ester
CID 2622537
Ethyl 2-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 4378088
tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate
CID 129358931
5,5-Dimethyl-3-[1-oxo-1-(morpholin-4-yl)butan-2-yl]imidazolidine2,4-dione
CID 145706411
Ethyl 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetate
CID 81298275
Ethyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 289056
5-Butyl-5-methyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 20350448
3-(2-Lauroyloxyethyl)-7,7,9,9-tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 20510563
Octyl 2-[7,7,9,9-tetramethyl-8-(2-octoxy-2-oxoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 57074612
2-(7,7,9,9-Tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)ethyl acetate
CID 68125467
Ethyl 2-(7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 68126348
Ethyl 3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 90770301

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate (CID 94060911) is ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate?
The InChIKey is HBYASDYWBJRVFL-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-22-12(19)11-7-5-6-8-17(11)9-10-18-13(20)15(2,3)16-14(18)21/h11H,4-10H2,1-3H3,(H,16,21)/t11-/m0/s1.
What are the key properties of ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate?
ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 94060911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).