2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid

C15H27NO3 — CID 115270713

IUPAC2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
SMILESCC(C)CCCCC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-12(2)8-4-5-9-13(17)16-11-7-6-10-15(16,3)14(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyMBYBBYFVWKWPAW-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds6

About 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid

2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid (PubChem CID 115270713) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
PubChem CID115270713
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
SMILESCC(C)CCCCC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-12(2)8-4-5-9-13(17)16-11-7-6-10-15(16,3)14(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyMBYBBYFVWKWPAW-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115270474
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104594955
2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
CID 104599300
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid (CID 115270713) is 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid is CC(C)CCCCC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid?
The InChIKey is MBYBBYFVWKWPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)8-4-5-9-13(17)16-11-7-6-10-15(16,3)14(18)19/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid?
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 115270713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).