ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate

C17H28N2O4 — CID 9352394

IUPACethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H28N2O4/c1-5-23-16(22)12-6-8-18(9-7-12)15(21)13-10-14(20)19(11-13)17(2,3)4/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyVQWDYXWRIQSFFR-CYBMUJFWSA-N
MW324.42 g/mol
LogP1.44
Rot. Bonds3

About ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 9352394) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID9352394
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nameethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H28N2O4/c1-5-23-16(22)12-6-8-18(9-7-12)15(21)13-10-14(20)19(11-13)17(2,3)4/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyVQWDYXWRIQSFFR-CYBMUJFWSA-N
XLogP1.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-4-piperidinecarboxylate
CID 2982548
tert-butyl 4-[(4S)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 42544012
Ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 55604639
Ethyl 1-[2-[methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetyl]piperidine-4-carboxylate
CID 56393225
Methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 20556296
2-(2-Oxopyrrolidin-1-yl)ethyl 4-(4-methylpiperidin-1-yl)-4-oxobutanoate
CID 57973355
3-(2-Oxopyrrolidin-1-yl)propyl 3-(4-methylpiperidin-1-yl)propanoate
CID 57973412
3-(2-Oxopyrrolidin-1-yl)propyl 1-methylpiperidine-4-carboxylate
CID 57973570
2-(2-Oxopyrrolidin-1-yl)ethyl 1-methylpiperidine-4-carboxylate
CID 57973574
1-Tert-butyl-4-ethoxycarbonylpiperidin-1-ium-1-carboxylate
CID 68686932
Ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 108504195
Ethyl 1-[2-[acetyl-[3-[butanoyl(methyl)amino]propyl]amino]ethyl]piperidine-4-carboxylate
CID 141673394

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate (CID 9352394) is ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is VQWDYXWRIQSFFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-5-23-16(22)12-6-8-18(9-7-12)15(21)13-10-14(20)19(11-13)17(2,3)4/h12-13H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 9352394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).