1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

C14H26N2O3 — CID 122122879

IUPAC1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)11(4)6-15-14(19)16-7-10(3)5-12(8-16)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyIFSJMRYVXDILOY-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.03
Rot. Bonds4

About 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122879) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122122879
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)11(4)6-15-14(19)16-7-10(3)5-12(8-16)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyIFSJMRYVXDILOY-UHFFFAOYSA-N
XLogP2.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852
5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122171
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
1-[(3-ethoxy-4-methylpentyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123015
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122170
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122962
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
5-methyl-1-(1,1,1-trifluoropropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122103139
1-[2-(ethylsulfonylamino)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122212
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (CID 122122879) is 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCC(C)C(C)C)C1.
What is the InChIKey of 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is IFSJMRYVXDILOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)11(4)6-15-14(19)16-7-10(3)5-12(8-16)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).