1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid

C16H28N2O3 — CID 114430350

IUPAC1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCC(C)CC2C)C(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-4-13-6-8-18(14(10-13)15(19)20)16(21)17-7-5-11(2)9-12(17)3/h11-14H,4-10H2,1-3H3,(H,19,20)
InChIKeyXVRIFACCZMOZNL-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.80
Rot. Bonds2

About 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid

1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114430350) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114430350
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCC(C)CC2C)C(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-4-13-6-8-18(14(10-13)15(19)20)16(21)17-7-5-11(2)9-12(17)3/h11-14H,4-10H2,1-3H3,(H,19,20)
InChIKeyXVRIFACCZMOZNL-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid (CID 114430350) is 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)N2CCC(C)CC2C)C(C(=O)O)C1.
What is the InChIKey of 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is XVRIFACCZMOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-13-6-8-18(14(10-13)15(19)20)16(21)17-7-5-11(2)9-12(17)3/h11-14H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid?
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114430350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).