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

C11H19NO3 — CID 43409065

IUPACmethyl 1-(2-methylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)10(13)12-6-4-9(5-7-12)11(14)15-3/h8-9H,4-7H2,1-3H3
InChIKeyUJXSCSPKGQZKMJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds2

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

methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate (PubChem CID 43409065) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpropanoyl)piperidine-4-carboxylate
PubChem CID43409065
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-(2-methylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)10(13)12-6-4-9(5-7-12)11(14)15-3/h8-9H,4-7H2,1-3H3
InChIKeyUJXSCSPKGQZKMJ-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
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-methylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate (CID 43409065) is methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate?
The InChIKey is UJXSCSPKGQZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)10(13)12-6-4-9(5-7-12)11(14)15-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate?
methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43409065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).