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

C15H28N2O3 — CID 63136060

IUPAC3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NC(C)CC(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-15(13(18)19)7-6-8-17(10-15)14(20)16-12(4)9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyHJBJIIQJGFCAEL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds5

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

3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63136060) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63136060
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NC(C)CC(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-15(13(18)19)7-6-8-17(10-15)14(20)16-12(4)9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyHJBJIIQJGFCAEL-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136901
3-ethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106283395
3-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 63959438
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
1-(but-3-yn-2-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 114418501
1-(4-methylpentan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710168
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 63136060) is 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)NC(C)CC(C)C)C1.
What is the InChIKey of 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is HJBJIIQJGFCAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(13(18)19)7-6-8-17(10-15)14(20)16-12(4)9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).