ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate

C12H22N2O3 — CID 22954029

IUPACethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-4-17-12(16)14-7-5-10(6-8-14)13-11(15)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyOZVGXJKEKMKNKL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds3

About ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate

ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate (PubChem CID 22954029) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate
PubChem CID22954029
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-4-17-12(16)14-7-5-10(6-8-14)13-11(15)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyOZVGXJKEKMKNKL-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate (CID 22954029) is ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is OZVGXJKEKMKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-12(16)14-7-5-10(6-8-14)13-11(15)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate?
ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 22954029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).