methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate

C15H26N2O3 — CID 79163032

IUPACmethyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H26N2O3/c1-12-6-5-8-16(11-12)15(19)17-9-4-3-7-13(17)10-14(18)20-2/h12-13H,3-11H2,1-2H3
InChIKeyIZOOMADZGINQPY-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.26
Rot. Bonds2

About methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate (PubChem CID 79163032) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate
PubChem CID79163032
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)N1CCCC(C)C1
InChIInChI=1S/C15H26N2O3/c1-12-6-5-8-16(11-12)15(19)17-9-4-3-7-13(17)10-14(18)20-2/h12-13H,3-11H2,1-2H3
InChIKeyIZOOMADZGINQPY-UHFFFAOYSA-N
XLogP2.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159225
(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 115535473
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
CID 106828161
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate (CID 79163032) is methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate?
The InChIKey is IZOOMADZGINQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12-6-5-8-16(11-12)15(19)17-9-4-3-7-13(17)10-14(18)20-2/h12-13H,3-11H2,1-2H3.
What are the key properties of methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate has a molecular weight of 282.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-methylpiperidine-1-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 79163032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).