ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate

C13H22N2O3 — CID 112725637

IUPACethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(16)11-5-9-15(10-6-11)13(17)14-7-3-4-8-14/h11H,2-10H2,1H3
InChIKeyDZOIWJRVIMOWMQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.48
Rot. Bonds2

About ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate

ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate (PubChem CID 112725637) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
PubChem CID112725637
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(16)11-5-9-15(10-6-11)13(17)14-7-3-4-8-14/h11H,2-10H2,1H3
InChIKeyDZOIWJRVIMOWMQ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
Methyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 652792
Ethyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 669644
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate
CID 753279
Methyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2987642
ethyl 2-[1-[(2S)-2-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
CID 67406179
ethyl 2-[1-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
CID 67406181
Ethyl 2-[1-(2-fluoropyrrolidine-1-carbonyl)piperidin-4-yl]acetate
CID 77285673

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate (CID 112725637) is ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is DZOIWJRVIMOWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-12(16)11-5-9-15(10-6-11)13(17)14-7-3-4-8-14/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.48, 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-4-carboxylate is sourced from PubChem (CID 112725637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).