methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate

C14H24N2O3 — CID 63128448

IUPACmethyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCCC1(C(=O)N2CCCC2C(=O)OC)CCNCC1
InChIInChI=1S/C14H24N2O3/c1-3-14(6-8-15-9-7-14)13(18)16-10-4-5-11(16)12(17)19-2/h11,15H,3-10H2,1-2H3
InChIKeyMXCUCBARORFZPS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds3

About methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 63128448) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID63128448
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCCC1(C(=O)N2CCCC2C(=O)OC)CCNCC1
InChIInChI=1S/C14H24N2O3/c1-3-14(6-8-15-9-7-14)13(18)16-10-4-5-11(16)12(17)19-2/h11,15H,3-10H2,1-2H3
InChIKeyMXCUCBARORFZPS-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128449
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 55164698
methyl (2S)-1-[(1R)-1-hydroxy-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 118482731
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63127692
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
methyl 1-(7-oxabicyclo[4.1.0]heptane-1-carbonyl)pyrrolidine-2-carboxylate
CID 12629859
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate (CID 63128448) is methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate is CCC1(C(=O)N2CCCC2C(=O)OC)CCNCC1.
What is the InChIKey of methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is MXCUCBARORFZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(6-8-15-9-7-14)13(18)16-10-4-5-11(16)12(17)19-2/h11,15H,3-10H2,1-2H3.
What are the key properties of methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 63128448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).