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

C14H25NO3 — CID 4294885

IUPACethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C14H25NO3/c1-4-11(5-2)13(16)15-9-7-12(8-10-15)14(17)18-6-3/h11-12H,4-10H2,1-3H3
InChIKeyRBPXSLQYERNYCF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds5

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

ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate (PubChem CID 4294885) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
PubChem CID4294885
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C14H25NO3/c1-4-11(5-2)13(16)15-9-7-12(8-10-15)14(17)18-6-3/h11-12H,4-10H2,1-3H3
InChIKeyRBPXSLQYERNYCF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate (CID 4294885) is ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(CC)CC)CC1.
What is the InChIKey of ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate?
The InChIKey is RBPXSLQYERNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-11(5-2)13(16)15-9-7-12(8-10-15)14(17)18-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate?
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 4294885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).