3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

C14H26N2O3 — CID 63135754

IUPAC3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)N(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-11(6-2)15(4)13(19)16-9-7-8-14(3,10-16)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyRFIRSGFUWDBXAQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds4

About 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid

3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63135754) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID63135754
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC(CC)N(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-11(6-2)15(4)13(19)16-9-7-8-14(3,10-16)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyRFIRSGFUWDBXAQ-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63228492
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136352
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
1-[2-(aminomethyl)butanoyl]-3-methylpiperidine-3-carboxylic acid
CID 65228066
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 63135754) is 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is CCC(CC)N(C)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RFIRSGFUWDBXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11(6-2)15(4)13(19)16-9-7-8-14(3,10-16)12(17)18/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63135754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).