ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate

C13H22N2O3 — CID 113331358

IUPACethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)N1CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(16)11-7-3-4-10-15(11)13(17)14-8-5-6-9-14/h11H,2-10H2,1H3
InChIKeySGBFXBKQLAEYOV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.62
Rot. Bonds2

About ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate

ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate (PubChem CID 113331358) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
PubChem CID113331358
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)N1CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(16)11-7-3-4-10-15(11)13(17)14-8-5-6-9-14/h11H,2-10H2,1H3
InChIKeySGBFXBKQLAEYOV-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-2-carboxylate
CID 55432116
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
CID 59417753
CID 59417753
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate (CID 113331358) is ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)N1CCCC1.
What is the InChIKey of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate?
The InChIKey is SGBFXBKQLAEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-12(16)11-7-3-4-10-15(11)13(17)14-8-5-6-9-14/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate?
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 113331358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).