methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate

C13H22N2O3 — CID 55164698

IUPACmethyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1(C)CCCNC1
InChIInChI=1S/C13H22N2O3/c1-13(6-4-7-14-9-13)12(17)15-8-3-5-10(15)11(16)18-2/h10,14H,3-9H2,1-2H3
InChIKeyRWVVHKRANQIACA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds2

About methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55164698) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55164698
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1(C)CCCNC1
InChIInChI=1S/C13H22N2O3/c1-13(6-4-7-14-9-13)12(17)15-8-3-5-10(15)11(16)18-2/h10,14H,3-9H2,1-2H3
InChIKeyRWVVHKRANQIACA-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
methyl (2S)-1-[(1R)-1-hydroxy-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 118482731
tert-butyl (2S)-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 106828171
methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128448
methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128449
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
methyl 1-(7-oxabicyclo[4.1.0]heptane-1-carbonyl)pyrrolidine-2-carboxylate
CID 12629859
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate (CID 55164698) is methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1(C)CCCNC1.
What is the InChIKey of methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is RWVVHKRANQIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(6-4-7-14-9-13)12(17)15-8-3-5-10(15)11(16)18-2/h10,14H,3-9H2,1-2H3.
What are the key properties of methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55164698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).