ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate

C9H15NO3 — CID 34180905

IUPACethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)[C@@H](C)C1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)10-5-4-8(11)7(2)6-10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYQONNJPKBHDJJM-ZETCQYMHSA-N
MW185.22 g/mol
LogP1.05
Rot. Bonds1

About ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate

ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate (PubChem CID 34180905) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
PubChem CID34180905
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)[C@@H](C)C1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)10-5-4-8(11)7(2)6-10/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYQONNJPKBHDJJM-ZETCQYMHSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-oxopiperidine-1-carboxylate
CID 735900
Ethyl 4-oxo-1-piperidinecarboxylate
CID 34767
1-Boc-piperidine-3-carboxaldehyde
CID 9964448
tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate
CID 22644642
Tert-butyl 3,5-dimethyl-4-oxopiperidine-1-carboxylate
CID 66757565
tert-Butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
CID 22278899
tert-Butyl 3-ethyl-4-oxopiperidine-1-carboxylate
CID 22278903
tert-butyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 29414355
tert-butyl (3S)-3-formylpiperidine-1-carboxylate
CID 40429396
tert-Butyl (3R)-3-formylpiperidine-1-carboxylate
CID 42325667
tert-butyl (3R,5S)-3,5-dimethyl-4-oxopiperidine-1-carboxylate
CID 59131037
Tert-butyl 2,5-dimethyl-4-oxopiperidine-1-carboxylate
CID 69781861

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate (CID 34180905) is ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate is CCOC(=O)N1CCC(=O)[C@@H](C)C1.
What is the InChIKey of ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate?
The InChIKey is YQONNJPKBHDJJM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(12)10-5-4-8(11)7(2)6-10/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate?
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 34180905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).