1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

C15H25N3O3 — CID 114425181

IUPAC1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC2CN3CCC2CC3)C(C(=O)O)C1
InChIInChI=1S/C15H25N3O3/c1-10-2-7-18(13(8-10)14(19)20)15(21)16-12-9-17-5-3-11(12)4-6-17/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyAQWLREHIWKHDOH-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.98
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425181) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425181
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC2CN3CCC2CC3)C(C(=O)O)C1
InChIInChI=1S/C15H25N3O3/c1-10-2-7-18(13(8-10)14(19)20)15(21)16-12-9-17-5-3-11(12)4-6-17/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyAQWLREHIWKHDOH-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425643
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425404
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425473
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114549127
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63998601
1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425149
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (CID 114425181) is 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NC2CN3CCC2CC3)C(C(=O)O)C1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is AQWLREHIWKHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-2-7-18(13(8-10)14(19)20)15(21)16-12-9-17-5-3-11(12)4-6-17/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).