methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate

C12H21NO3 — CID 3959059

IUPACmethyl 1-(2-methylbutanoyl)piperidine-4-carboxylate
SMILESCCC(C)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H21NO3/c1-4-9(2)11(14)13-7-5-10(6-8-13)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyRZQSUFOWQIGTLM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds3

About methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate

methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate (PubChem CID 3959059) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylbutanoyl)piperidine-4-carboxylate
PubChem CID3959059
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 1-(2-methylbutanoyl)piperidine-4-carboxylate
SMILESCCC(C)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H21NO3/c1-4-9(2)11(14)13-7-5-10(6-8-13)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyRZQSUFOWQIGTLM-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
CID 736836
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
Methyl 1-(cyclohexylcarbonyl)-4-piperidinecarboxylate
CID 798678
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
1-Propionyl-4-piperidinecarboxylic acid
CID 685155

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate (CID 3959059) is methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate is CCC(C)C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate?
The InChIKey is RZQSUFOWQIGTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-9(2)11(14)13-7-5-10(6-8-13)12(15)16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate?
methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 3959059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).