ethyl 1-cyclopentylpiperidine-3-carboxylate

C13H23NO2 — CID 62025944

IUPACethyl 1-cyclopentylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-13(15)11-6-5-9-14(10-11)12-7-3-4-8-12/h11-12H,2-10H2,1H3
InChIKeyQMVGPEVHEVVYQB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds3

About ethyl 1-cyclopentylpiperidine-3-carboxylate

ethyl 1-cyclopentylpiperidine-3-carboxylate (PubChem CID 62025944) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethyl 1-cyclopentylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopentylpiperidine-3-carboxylate
PubChem CID62025944
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethyl 1-cyclopentylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-13(15)11-6-5-9-14(10-11)12-7-3-4-8-12/h11-12H,2-10H2,1H3
InChIKeyQMVGPEVHEVVYQB-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
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ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl 1-(2-cyanocyclohexyl)piperidine-3-carboxylate
CID 43291775
(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
CID 121456446
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopentylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopentylpiperidine-3-carboxylate (CID 62025944) is ethyl 1-cyclopentylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopentylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopentylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(C2CCCC2)C1.
What is the InChIKey of ethyl 1-cyclopentylpiperidine-3-carboxylate?
The InChIKey is QMVGPEVHEVVYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-16-13(15)11-6-5-9-14(10-11)12-7-3-4-8-12/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 1-cyclopentylpiperidine-3-carboxylate?
ethyl 1-cyclopentylpiperidine-3-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopentylpiperidine-3-carboxylate is sourced from PubChem (CID 62025944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).