ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate

C14H25NO3 — CID 78958335

IUPACethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(C)C(C)C
InChIInChI=1S/C14H25NO3/c1-5-18-14(17)12-8-6-7-9-15(12)13(16)11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyJVXXANFKAPAHTJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds4

About ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate

ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate (PubChem CID 78958335) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
PubChem CID78958335
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(C)C(C)C
InChIInChI=1S/C14H25NO3/c1-5-18-14(17)12-8-6-7-9-15(12)13(16)11(4)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyJVXXANFKAPAHTJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
CID 43648369
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-2-carboxylate
CID 104907897
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
CID 59417753
CID 59417753

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate (CID 78958335) is ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C(C)C(C)C.
What is the InChIKey of ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
The InChIKey is JVXXANFKAPAHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-18-14(17)12-8-6-7-9-15(12)13(16)11(4)10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 78958335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).