2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid

C15H28N2O3 — CID 104598318

IUPAC2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(C)CC(C)NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-11(2)10-12(3)16-14(20)17-9-7-6-8-15(17,4)13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyWKKGNWRXMDFWFE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds5

About 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid

2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 104598318) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID104598318
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(C)CC(C)NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-11(2)10-12(3)16-14(20)17-9-7-6-8-15(17,4)13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyWKKGNWRXMDFWFE-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 113472972
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978479
2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64642274
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 103112626
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104598283
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid (CID 104598318) is 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid is CCC(C)CC(C)NC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is WKKGNWRXMDFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11(2)10-12(3)16-14(20)17-9-7-6-8-15(17,4)13(18)19/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid?
2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).