1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid

C13H24N2O3 — CID 43570510

IUPAC1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)C(C)N(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)14(4)13(18)15-7-5-11(6-8-15)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyCEHKESGUOCANTJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds3

About 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid

1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 43570510) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID43570510
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)C(C)N(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)14(4)13(18)15-7-5-11(6-8-15)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyCEHKESGUOCANTJ-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 43569525
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43570509
1-[methyl(3-methylbutan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64561748
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61200830
(2S)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-methylamino]-3-methylbutanoic acid
CID 178019993
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
piperidine-1,4-dicarboxylic acid
CID 18542445
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid (CID 43570510) is 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid is CC(C)C(C)N(C)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is CEHKESGUOCANTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)10(3)14(4)13(18)15-7-5-11(6-8-15)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid?
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43570510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).