4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid

C15H26N2O3 — CID 114425614

IUPAC4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCCCCC2C)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-7-9-17(13(10-11)14(18)19)15(20)16-8-5-3-4-6-12(16)2/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyOTXCXWWBQYHVFM-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds1

About 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid

4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114425614) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID114425614
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCCCCC2C)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-7-9-17(13(10-11)14(18)19)15(20)16-8-5-3-4-6-12(16)2/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyOTXCXWWBQYHVFM-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425231
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425408
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid (CID 114425614) is 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid is CC1CCN(C(=O)N2CCCCCC2C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is OTXCXWWBQYHVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-7-9-17(13(10-11)14(18)19)15(20)16-8-5-3-4-6-12(16)2/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114425614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).