3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid

C15H26N2O3 — CID 107072049

IUPAC3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CC(=O)N2CCCCC2C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-6-5-8-16(14(11)15(19)20)10-13(18)17-9-4-3-7-12(17)2/h11-12,14H,3-10H2,1-2H3,(H,19,20)
InChIKeyVOZJUCSAVBBBOE-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid

3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 107072049) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID107072049
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CC(=O)N2CCCCC2C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-6-5-8-16(14(11)15(19)20)10-13(18)17-9-4-3-7-12(17)2/h11-12,14H,3-10H2,1-2H3,(H,19,20)
InChIKeyVOZJUCSAVBBBOE-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072460
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
CID 107072467
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072029
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid (CID 107072049) is 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid is CC1CCCN(CC(=O)N2CCCCC2C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is VOZJUCSAVBBBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-6-5-8-16(14(11)15(19)20)10-13(18)17-9-4-3-7-12(17)2/h11-12,14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid?
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).