1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid

C16H30N2O3 — CID 114429706

IUPAC1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC(CCN)CCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-12(7-9-17)5-6-15(19)18-10-8-13(4-2)11-14(18)16(20)21/h12-14H,3-11,17H2,1-2H3,(H,20,21)
InChIKeyHGEMJWCJCQCFOK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.24
Rot. Bonds8

About 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid

1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114429706) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114429706
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC(CCN)CCC(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-12(7-9-17)5-6-15(19)18-10-8-13(4-2)11-14(18)16(20)21/h12-14H,3-11,17H2,1-2H3,(H,20,21)
InChIKeyHGEMJWCJCQCFOK-UHFFFAOYSA-N
XLogP2.24
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 114427038
4-ethyl-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 114427347
1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429643
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
4-ethyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 114429674
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430408
6-amino-4-ethyl-1-[4-(1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 106835869

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid (CID 114429706) is 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid is CCC(CCN)CCC(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is HGEMJWCJCQCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-12(7-9-17)5-6-15(19)18-10-8-13(4-2)11-14(18)16(20)21/h12-14H,3-11,17H2,1-2H3,(H,20,21).
What are the key properties of 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid?
1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-4-ethylhexanoyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114429706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).