4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid

C14H26N2O3 — CID 55177965

IUPAC4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC(C)(C)NC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-13(3,4)15-12(19)16-9-7-14(6-2,8-10-16)11(17)18/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeySTQSORKFGJXANR-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds4

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

4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 55177965) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID55177965
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC(C)(C)NC(=O)N1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-13(3,4)15-12(19)16-9-7-14(6-2,8-10-16)11(17)18/h5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeySTQSORKFGJXANR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106330455
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116653730
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
4-ethyl-1-[(1-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 64687060
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130
methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate
CID 70950413
1-[(3-amino-3-oxopropyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126588
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
4-ethyl-1-[3-(ethylamino)propylcarbamoyl]piperidine-4-carboxylic acid
CID 63127141
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63126473

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid (CID 55177965) is 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid is CCC(C)(C)NC(=O)N1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is STQSORKFGJXANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-13(3,4)15-12(19)16-9-7-14(6-2,8-10-16)11(17)18/h5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55177965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).