1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid

C14H22N2O5 — CID 115918481

IUPAC1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCC1CCN(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-9-2-5-15(6-3-9)14(21)16-7-4-10(12(17)18)11(8-16)13(19)20/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyRDBOPDJBUZNRQC-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.95
Rot. Bonds2

About 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid

1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918481) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918481
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCC1CCN(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-9-2-5-15(6-3-9)14(21)16-7-4-10(12(17)18)11(8-16)13(19)20/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyRDBOPDJBUZNRQC-UHFFFAOYSA-N
XLogP0.95
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
(3-methylpyrrolidin-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 130679410
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
1-prop-2-enoylpiperidine-3,4-dicarboxylic acid
CID 112567977
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 177134556

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918481) is 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid is CC1CCN(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is RDBOPDJBUZNRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-9-2-5-15(6-3-9)14(21)16-7-4-10(12(17)18)11(8-16)13(19)20/h9-11H,2-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).