1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

C14H26N2O3 — CID 114426023

IUPAC1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-5-8-16(11(9-10)12(17)18)13(19)15-7-6-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDWHHOFIRHOOYOD-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds3

About 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426023) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426023
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-5-8-16(11(9-10)12(17)18)13(19)15-7-6-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDWHHOFIRHOOYOD-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425328
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
CID 114265002
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 106097897
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425882
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234
4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404318

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (CID 114426023) is 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NCCC(C)(C)C)C(C(=O)O)C1.
What is the InChIKey of 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is DWHHOFIRHOOYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-5-8-16(11(9-10)12(17)18)13(19)15-7-6-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).