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

C15H26N2O3 — CID 63128449

IUPACmethyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCC1(C(=O)N2CCCC2C(=O)OC)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-3-6-15(7-9-16-10-8-15)14(19)17-11-4-5-12(17)13(18)20-2/h12,16H,3-11H2,1-2H3
InChIKeyFEAZOZSGQBITFU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds4

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

methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 63128449) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID63128449
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCC1(C(=O)N2CCCC2C(=O)OC)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-3-6-15(7-9-16-10-8-15)14(19)17-11-4-5-12(17)13(18)20-2/h12,16H,3-11H2,1-2H3
InChIKeyFEAZOZSGQBITFU-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128448
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
1-(3-propylpyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 63140050
methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 55164698
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-propylpiperidin-4-yl)methanone
CID 63128249
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
methyl (2S)-1-[(1R)-1-hydroxy-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 118482731
(4-propylpiperidin-4-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 63128526
4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63128767

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate (CID 63128449) is methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate is CCCC1(C(=O)N2CCCC2C(=O)OC)CCNCC1.
What is the InChIKey of methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is FEAZOZSGQBITFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-6-15(7-9-16-10-8-15)14(19)17-11-4-5-12(17)13(18)20-2/h12,16H,3-11H2,1-2H3.
What are the key properties of methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 63128449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).