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

C14H25NO3 — CID 78917554

IUPACethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
SMILESCCCC(C)C(=O)N1CCCCC1C(=O)OCC
InChIInChI=1S/C14H25NO3/c1-4-8-11(3)13(16)15-10-7-6-9-12(15)14(17)18-5-2/h11-12H,4-10H2,1-3H3
InChIKeyQDBJWEVMBHOAAZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds5

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

ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate (PubChem CID 78917554) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
PubChem CID78917554
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
SMILESCCCC(C)C(=O)N1CCCCC1C(=O)OCC
InChIInChI=1S/C14H25NO3/c1-4-8-11(3)13(16)15-10-7-6-9-12(15)14(17)18-5-2/h11-12H,4-10H2,1-3H3
InChIKeyQDBJWEVMBHOAAZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050
ethyl 1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-2-carboxylate
CID 104907897
ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
CID 43648369
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate (CID 78917554) is ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate is CCCC(C)C(=O)N1CCCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
The InChIKey is QDBJWEVMBHOAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-8-11(3)13(16)15-10-7-6-9-12(15)14(17)18-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate?
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 78917554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).