methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate

C13H23NO3 — CID 115280159

IUPACmethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
SMILESCCCC(C)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C13H23NO3/c1-4-7-10(2)12(15)14-9-6-5-8-11(14)13(16)17-3/h10-11H,4-9H2,1-3H3
InChIKeyZBVQVKGLUNUBGY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds4

About methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate

methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate (PubChem CID 115280159) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
PubChem CID115280159
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
SMILESCCCC(C)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C13H23NO3/c1-4-7-10(2)12(15)14-9-6-5-8-11(14)13(16)17-3/h10-11H,4-9H2,1-3H3
InChIKeyZBVQVKGLUNUBGY-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
hydroperoxymethane;methane;(2S)-1-[2-(methylamino)pentanoyl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(methylamino)pentanoyl]pyrrolidine-2-carboxylate
CID 162101166

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate (CID 115280159) is methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate is CCCC(C)C(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
The InChIKey is ZBVQVKGLUNUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-7-10(2)12(15)14-9-6-5-8-11(14)13(16)17-3/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 115280159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).