ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate

C13H22N2O3 — CID 97291667

IUPACethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@](C)(N2CCC(=O)CC2)C1
InChIInChI=1S/C13H22N2O3/c1-3-18-12(17)14-9-6-13(2,10-14)15-7-4-11(16)5-8-15/h3-10H2,1-2H3/t13-/m1/s1
InChIKeyJVYQKKGONMWXNA-CYBMUJFWSA-N
MW254.33 g/mol
LogP1.27
Rot. Bonds2

About ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate

ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 97291667) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID97291667
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@](C)(N2CCC(=O)CC2)C1
InChIInChI=1S/C13H22N2O3/c1-3-18-12(17)14-9-6-13(2,10-14)15-7-4-11(16)5-8-15/h3-10H2,1-2H3/t13-/m1/s1
InChIKeyJVYQKKGONMWXNA-CYBMUJFWSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 68631599
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
CID 118294701
ethyl 3-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate
CID 162194377
ethyl 4-methyl-4-[4-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 66757233
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 70795313
ethyl 3-[4-(4-fluoro-7,7a-dihydro-1aH-oxireno[2,3-b]quinolin-2-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate
CID 143859656
[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267914
ethyl (3S)-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 59403066
ethane;ethyl pyrrolidine-1-carboxylate;piperidin-4-one
CID 143592038
CID 58731641
CID 58731641
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate (CID 97291667) is ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate is CCOC(=O)N1CC[C@@](C)(N2CCC(=O)CC2)C1.
What is the InChIKey of ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is JVYQKKGONMWXNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-18-12(17)14-9-6-13(2,10-14)15-7-4-11(16)5-8-15/h3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate?
ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 97291667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).