1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid

C16H28N2O3 — CID 107072460

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)CN2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-11-7-12(2)9-18(8-11)14(19)10-17-6-4-5-13(3)15(17)16(20)21/h11-13,15H,4-10H2,1-3H3,(H,20,21)
InChIKeyLMNFJFDRYAYWKK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.68
Rot. Bonds3

About 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072460) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072460
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)CN2CCCC(C)C2C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-11-7-12(2)9-18(8-11)14(19)10-17-6-4-5-13(3)15(17)16(20)21/h11-13,15H,4-10H2,1-3H3,(H,20,21)
InChIKeyLMNFJFDRYAYWKK-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119925999
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785966
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
CID 107072467
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100848998
1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124776383
(2S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910660
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone;hydrochloride
CID 119926112

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid (CID 107072460) is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid is CC1CC(C)CN(C(=O)CN2CCCC(C)C2C(=O)O)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is LMNFJFDRYAYWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-7-12(2)9-18(8-11)14(19)10-17-6-4-5-13(3)15(17)16(20)21/h11-13,15H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).