1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid

C15H28N2O3 — CID 43385834

IUPAC1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCCCCCC(C)NC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-4-5-6-12(2)16-14(18)11-17-9-7-13(8-10-17)15(19)20/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyOKBYQGHSHFLWLH-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds8

About 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 43385834) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID43385834
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCCCCCC(C)NC(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-4-5-6-12(2)16-14(18)11-17-9-7-13(8-10-17)15(19)20/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyOKBYQGHSHFLWLH-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
N-heptan-2-yl-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898417
N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681350
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide
CID 60542704
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744100
1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
2-methyl-1-(octan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744119
1-octylpiperidine-4-carboxylic acid
CID 14745626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 43385834) is 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid is CCCCCC(C)NC(=O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is OKBYQGHSHFLWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-4-5-6-12(2)16-14(18)11-17-9-7-13(8-10-17)15(19)20/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43385834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).