1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C14H25NO3 — CID 55057509

IUPAC1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCCCC(C)N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C14H25NO3/c1-5-6-7-10(3)15-11(4)13(14(17)18)9(2)8-12(15)16/h9-11,13H,5-8H2,1-4H3,(H,17,18)
InChIKeyLJYAUIRDURIOBI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.52
Rot. Bonds5

About 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 55057509) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID55057509
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCCCC(C)N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C14H25NO3/c1-5-6-7-10(3)15-11(4)13(14(17)18)9(2)8-12(15)16/h9-11,13H,5-8H2,1-4H3,(H,17,18)
InChIKeyLJYAUIRDURIOBI-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 55057509) is 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CCCCC(C)N1C(=O)CC(C)C(C(=O)O)C1C.
What is the InChIKey of 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is LJYAUIRDURIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-7-10(3)15-11(4)13(14(17)18)9(2)8-12(15)16/h9-11,13H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 55057509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).