1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid

C15H28N2O3 — CID 65042596

IUPAC1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCC(CC)(CC)NC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-5-15(6-2,7-3)16-13(20)17-10-8-9-14(4,11-17)12(18)19/h5-11H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyMKUYIBYNRZVASH-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds5

About 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid

1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 65042596) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID65042596
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCC(CC)(CC)NC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-5-15(6-2,7-3)16-13(20)17-10-8-9-14(4,11-17)12(18)19/h5-11H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyMKUYIBYNRZVASH-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

1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136585
3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113477916
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113475807

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (CID 65042596) is 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is CCC(CC)(CC)NC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is MKUYIBYNRZVASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(6-2,7-3)16-13(20)17-10-8-9-14(4,11-17)12(18)19/h5-11H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-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 1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65042596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).