3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid

C14H26N2O3 — CID 63136058

IUPAC3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CC(C)NC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11(3)15-13(19)16-7-5-6-14(4,9-16)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyNKFNGVXFARQMEP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds4

About 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid

3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63136058) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63136058
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CC(C)NC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11(3)15-13(19)16-7-5-6-14(4,9-16)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyNKFNGVXFARQMEP-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136898
3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
1-(4-methylpentan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710168
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113477916
1-(but-3-yn-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114418629
3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 63136058) is 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid is CC(C)CC(C)NC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is NKFNGVXFARQMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-11(3)15-13(19)16-7-5-6-14(4,9-16)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).