ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate

C13H23NO3 — CID 3288913

IUPACethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)11-6-5-7-14(9-11)12(15)8-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyZJZVMJRILGKENK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds4

About ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate

ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate (PubChem CID 3288913) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate
PubChem CID3288913
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)11-6-5-7-14(9-11)12(15)8-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyZJZVMJRILGKENK-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylnipecotinic acid methyl ester
CID 15535
Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
1-Tert-butyl 3-ethyl piperidine-1,3-dicarboxylate
CID 357727
methyl (3S)-1-methylpiperidine-3-carboxylate
CID 641103
Ethyl 1-(2-chloroacetyl)piperidine-3-carboxylate
CID 4657580
1-Acetyl-3-piperidinecarboxylic acid
CID 14043896
1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
CID 6420876
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Ethyl 1-(ethoxyacetyl)-3-piperidinecarboxylate
CID 2947372
Ethyl 1-pentanoyl-3-piperidinecarboxylate
CID 2957207
Methyl N-methylnipecotate methobromide
CID 9881457
1-Propanoylpiperidine-3-carboxylic acid
CID 16778057

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate (CID 3288913) is ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC(C)C)C1.
What is the InChIKey of ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate?
The InChIKey is ZJZVMJRILGKENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-17-13(16)11-6-5-7-14(9-11)12(15)8-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate?
ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylbutanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 3288913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).